SCHEMBL95545

SCHEMBL95545

Cc1ccc2nc(-c3ccc4nc(-c5ccc(N)cc5)sc4c3)sc2c1S(=O)(=O)[O-].[Na+]

nearest known ligand 0.80

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB known ✓ P10828 1/20 0.45
GAA P10253 6/20 0.68
GLA P06280 5/20 0.68
ALDH1A1 P00352 4/20 0.68
HPGD P15428 4/20 0.68
SMN1; SMN2 Q16637 4/20 0.68
TP53 P04637 3/20 0.68
RECQL P46063 2/20 0.68
TDP1 Q9NUW8 2/20 0.68
CASP1 P29466 2/20 0.68
CASP7 P55210 2/20 0.68
HSD17B10 Q99714 2/20 0.68
CYP3A4 P08684 1/20 0.68
NT5E P21589 1/20 0.68
APP P05067 11/20 0.54
MAPT P10636 6/20 0.54
KDM4E B2RXH2 5/20 0.54
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
POLB P06746 2/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochlorthiazide SCHEMBL4977398 0.91 GAA (0.57) GAAGLAALDH1A1HPGDSMN1; SMN2
Benzo[D]Thiazole SCHEMBL14763599 0.89 GAA (0.55) GAAGLAALDH1A1HPGDSMN1; SMN2
SCHEMBL15940004 0.89 GAA (0.86) GAAGLAALDH1A1HPGDSMN1; SMN2
SCHEMBL10605029 0.89 GAA (0.86) GAAGLAALDH1A1HPGDSMN1; SMN2
SCHEMBL14768668 0.89 GAA (0.86) GAAGLAALDH1A1HPGDSMN1; SMN2
SCHEMBL5578358 0.89 GAA (0.86) GAAGLAALDH1A1HPGDSMN1; SMN2
SCHEMBL30205808 0.88 APP (0.55) GAAGLAALDH1A1HPGDSMN1; SMN2
SCHEMBL15093377 0.88 GAA (0.84) GAAGLAALDH1A1HPGDSMN1; SMN2
SCHEMBL2865897 0.85 MAPT (0.51) GAAGLAALDH1A1HPGDSMN1; SMN2
SCHEMBL633557 0.81 GAA (1.00) GAAGLAALDH1A1HPGDSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Appears in 2847 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3940080-B1 INVENTION RELATING TO THE ANALYSIS OF AT LEAST ONE CHEMICAL COMPOUND BY SIMULATING AT LEAST ONE METABOLISATION PROCESS JUSTUS LIEBIG UNIV GIESSEN KOERPERSCHAFT DES OEFFENTLICHEN RECHTS (DE) 2025-04-02 EP claimed
EP-3805299-B1 THREE-DIMENSIONAL SOLID POLYMERIC FOAMS AND A MICROFLUIDIC PROCESS TO DESIGN THEM PARIS SCIENCES ET LETTRES (FR) 2024-12-04 EP claimed
US-20240192229-A1 METHODS AND MATERIALS FOR DETECTING MISFOLDED POLYPEPTIDES REGENTS OF THE UNIVERSITY OF MINNESOTA 2024-06-13 US claimed
EP-4323773-A1 METHODS AND MATERIALS FOR DETECTING MISFOLDED POLYPEPTIDES Regents of the University of Minnesota (US) 2024-02-21 EP claimed
WO-2023164252-A1 ISOTHERMAL NUCLEIC ACID DETECTION ASSAYS AND USES THEREOF TRUSTEES OF BOSTON UNIVERSITY (US) 2023-08-31 WO claimed
WO-2022221683-A1 METHODS AND MATERIALS FOR DETECTING MISFOLDED POLYPEPTIDES REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2022-10-20 WO claimed
CN-115197689-A Functionalized up-conversion nanoparticles of photooxidized protein and preparation method and application thereof 河南理工大学 2022-10-18 CN claimed
US-11400027-B2 Kit and method for detecting porous dental hydroxyapatite INCISIVE TECHNOLOGIES PTY LTD (AU) 2022-08-02 US claimed
EP-2802871-B1 CHARACTERIZATION OF SUBVISIBLE PARTICLES USING A PARTICLE ANALYZER TAKEDA PHARMACEUTICALS CO (JP) 2022-07-27 EP claimed
EP-3174953-B1 ENVIRONMENTALLY RESPONSIVE CHROMATIC LUMINESCENT COMPOSITIONS WITH IMPROVED HAND BAMBU VAULT LLC (US) 2020-09-02 EP claimed
WO-2002042764-A1 MATERIALS FOR ENHANCING STAINING OF BIOPOLYMERS IN MATRICES INVITROGEN CORPORATION (US) 2002-05-30 WO claimed
US-20020055000-A1 Spin-on-glass anti-reflective coatings for photolithography HONEYWELL INTERNATIONAL INC. 2002-05-09 US claimed
EP-1190277-A1 SPIN-ON-GLASS ANTI-REFLECTIVE COATINGS FOR PHOTOLITHOGRAPHY AlliedSignal Inc. (US) 2002-03-27 EP claimed
US-6268457-B1 Spin-on glass anti-reflective coatings for photolithography ALLIED SIGNAL, INC. 2001-07-31 US claimed
WO-2000077575-A1 SPIN-ON-GLASS ANTI-REFLECTIVE COATINGS FOR PHOTOLITHOGRAPHY ALLIEDSIGNAL INC. (US) 2000-12-21 WO claimed
EP-0563240-A1 LIPID RECEPTORS FOR MICROORGANISMS AND CORRESPONDING ADHESINS, DNA SEQUENCES ENCODING ADHESINS, AND USE THEREOF MicroCarb Inc. (US) 1993-10-06 EP claimed
WO-1992011367-A2 LIPID RECEPTORS FOR MICROORGANISMS AND CORRESPONDING ADHESINS, DNA SEQUENCES ENCODING ADHESINS, AND USE THEREOF MICROCARB INC. (US) 1992-07-09 WO claimed
EP-0003583-B1 COMPOSITIONS FOR CYTOCHEMICAL INVESTIGATION, THEIR USE AND METHOD FOR THE DETECTION OF STEROID HORMONE RECEPTORS IN HUMAN TISSUES Lee, Sin Hang (US) 1981-12-02 EP claimed
US-4215102-A Cytochemical agents and methods for the detection of steroid hormone receptors in human tissues LEE SIN H 1980-07-29 US claimed
EP-0003583-A1 Compositions for cytochemical investigation, their use and method for the detection of steroid hormone receptors in human tissues Lee, Sin Hang (US) 1979-08-22 EP claimed