SCHEMBL41561

SCHEMBL41561

O=C([O-])C1=NN(c2ccc(S(=O)(=O)[O-])cc2)C(=O)C1N=Nc1ccc(S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+]

nearest known ligand 0.48

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 0.32
▸ MEN1 O00255 12/20 0.48
▸ KMT2A Q03164 12/20 0.48
▸ MAPT P10636 6/20 0.48
▸ CYP1A2 P05177 2/20 0.48
▸ GAA P10253 2/20 0.48
▸ NPC1 O15118 7/20 0.43
▸ RAB9A P51151 6/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ LMNA P02545 3/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ATM Q13315 1/20 0.40
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ PLCG1 P19174 1/20 0.33

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
SCHEMBL41562 1.00 MEN1 (0.48) MEN1KMT2AMAPTCYP1A2GAA
SCHEMBL1461510 0.99 MEN1 (0.50) MEN1KMT2AMAPTCYP1A2GAA
SCHEMBL473260 0.99 MEN1 (0.47) MEN1KMT2AMAPTCYP1A2GAA
SCHEMBL1831128 0.98 MEN1 (0.47) MEN1KMT2AMAPTCYP1A2GAA
SCHEMBL31255141 0.98 MEN1 (0.48) MEN1KMT2AMAPTCYP1A2GAA
SCHEMBL29533009 0.94 MAPT (0.51) MEN1KMT2AMAPTCYP1A2GAA
SCHEMBL28836944 0.88 MEN1 (0.48) MEN1KMT2AMAPTCYP1A2GAA
SCHEMBL9821193 0.85 KMT2A (0.39) MEN1KMT2AMAPTCYP1A2GAA
SCHEMBL3282817 0.84 MEN1 (0.47) MEN1KMT2AMAPTCYP1A2GAA
SCHEMBL10623311 0.83 MAPT (0.62) MEN1KMT2AMAPTCYP1A2GAA

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 22389 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260145381-A1 THREE-DIMENSIONAL PRINTING WITH PHOTOBLEACHABLE DYE(S) PERIDOT PRINT LLC (US) 2026-05-28 — — US claimed
US-20260146175-A1 THREE-DIMENSIONAL PRINTING WITH VISIBLE LIGHT ABSORBING DYES PERIDOT PRINT LLC (US) 2026-05-28 — — US claimed
WO-2026089856-A1 METHOD OF PREPARING AND USING A SKIN CARE FORMULATION DOW SILICONES CORPORATION (US) 2026-04-30 — — WO claimed
WO-2026089857-A1 METHOD OF PREPARING AND USING A SKIN CARE COMPOSITION DOW SILICONES CORPORATION (US) 2026-04-30 — — WO claimed
US-12612604-B2 High throughput reaction assembly NEW ENGLAND BIOLABS, INC. 2026-04-28 — — US claimed
EP-4728588-A1 COIN CELL BATTERIES WITH AVERSIVE-AGENT COATING Energizer Brands, LLC (US) 2026-04-22 — — EP claimed
EP-4728589-A1 LITHIUM COIN CELL BATTERIES WITH POLYMER AND AVERSIVE-AGENT COATING LOCATED EXTERIOR TO THE CELL TO AVOID IMPACTING CONDUCTIVITY Energizer Brands, LLC (US) 2026-04-22 — — EP claimed
US-12605344-B2 Nanoparticles encapsulating soluble biologics, therapeutics, and imaging agents THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2026-04-21 — — US claimed
US-20260102078-A1 FLUID TRANSFER APPARATUS, SYSTEM AND METHODS FOR USE ResMed Pty Ltd (AU) 2026-04-16 — — US claimed
US-20260102378-A1 Therapeutic and Topical Anti-Itch Composition BECKER EDWARD (US) 2026-04-16 — — US claimed
US-4312941-A ANTIHALATION LAYER CONTAINING MORDANT FOR FIXING DIFFUSIBLE DYE FROM EMULSION LAYER VEB FILMFABRIK WOLFEN (DD) 1982-01-26 — — US claimed
EP-0044144-A2 Flexible insulation for filamentary intermetallic superconductor wire IMI KYNOCH LIMITED (GB) 1982-01-20 — — EP claimed
US-4246040-A REACTING BASIC POLYALUMINUM SALT WITH AN ACID IN PRESENCE OF POWDER NIHONSHIKIZAI KOGYO CO., LTD. (JP) 1981-01-20 — — US claimed
US-4243693-A Method and composition for the preservation of plants CHALVINGTON HOLDINGS LIMITED, A CORP. OF JERSEY, CHANNEL ISLANDS (JE) 1981-01-06 — — US claimed
WO-1980002223-A1 A METHOD AND COMPOSITION FOR THE PRESERVATION OF PLANTS NORDH S (SE) 1980-10-30 — — WO claimed
EP-0018341-A2 A method and composition for the preservation of plants Nordh, Sven Börje Lennart (SE) 1980-10-29 — — EP claimed
US-4132527-A COLORIMETRIC ANALYSIS OF SACCHARIDES IN BODY FLUIDS USING SUBSTITUTED TOLUIDINES SHIONOGI & CO., LTD. (JP) 1979-01-02 — — US claimed
US-4125507-A Process for priming and compositions therefor DOW CORNING CORPORATION (US) 1978-11-14 — — US claimed
US-3975554-A Process for priming DOW CORNING CORPORATION (US) 1976-08-17 — — US claimed
US-3971702-A DIAMINOBIPHENYL, SACCHARIDE OXIDASE SHIONOGI & CO., LTD. (JA) 1976-07-27 — — US claimed
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