SCHEMBL9101823

SCHEMBL9101823

CCC(N1c2ccccc2Sc2ccccc21)S(=O)(=O)[O-].[Na+]

nearest known ligand 0.46

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
PTGS1 known ✓ P23219 3/20 0.43
PTGS2 known ✓ P35354 2/20 0.43
SCN1A known ✓ P35498 1/20 0.41
SCN2A known ✓ Q99250 1/20 0.41
SCN3A known ✓ Q9NY46 1/20 0.41
BCHE P06276 8/20 0.46
MAPT P10636 4/20 0.43
CYP2D6 P10635 4/20 0.42
ALDH1A1 P00352 3/20 0.42
ALOX15 P16050 3/20 0.42
HSD17B10 Q99714 3/20 0.42
ACHE P22303 3/20 0.42
CHRM2 P08172 3/20 0.42
HTR1A P08908 3/20 0.42
ADRA2A P08913 3/20 0.42
CHRM1 P11229 3/20 0.42
DRD1 P21728 3/20 0.42
SLC6A2 P23975 3/20 0.42
SLC6A4 P31645 3/20 0.42
ADRA1A P35348 3/20 0.42

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
SCHEMBL6276192 0.83 BCHE (0.47) BCHEPTGS1PTGS2MAPTCYP2D6
SCHEMBL9101733 0.81 BCHE (0.35) BCHEPTGS1PTGS2MAPTCYP2D6
SCHEMBL9106495 0.80 P2RX4 (0.44) MAPTSMN1; SMN2CACNA1B
SCHEMBL9102050 0.80 BCHE (0.34) BCHEPTGS1PTGS2MAPTCYP2D6
SCHEMBL9104147 0.74 BCHE (0.41) BCHEPTGS1PTGS2MAPTCYP2D6
SCHEMBL9102414 0.74 BCHE (0.41) BCHEPTGS1PTGS2MAPTCYP2D6
SCHEMBL9100922 0.73 BCHE (0.42) BCHEPTGS1PTGS2MAPTCYP2D6
SCHEMBL9100285 0.73 BCHE (0.42) BCHEPTGS1PTGS2MAPTCYP2D6
SCHEMBL9104801 0.73 RAD52 (0.47) BCHEMAPTCYP2D6ALDH1A1ALOX15
SCHEMBL9100134 0.73 CYP2D6 (0.46) BCHEPTGS1PTGS2MAPTCYP2D6

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

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118039919-A Composite copper current collector with high mechanical property and preparation method and application thereof 江阴纳力新材料科技有限公司 2024-05-14 CN claimed
US-5171668-A Measuring light emitted from contacting (iso)luminol, peroxide, peroxidase activity enhancer, such as indoanilines, phenolindophenol and N-methylphenothiazine, with labeled peroxidase antibody-antigen complex FUJIREBIO INC. (JP) 1992-12-15 US claimed
CN-118039919-A Composite copper current collector with high mechanical property and preparation method and application thereof 江阴纳力新材料科技有限公司 2024-05-14 CN disclosed
US-10988687-B2 Phthalocyanine formulation and uses thereof LI-COR, INC. (US) 2021-04-27 US disclosed
US-20180079954-A1 PHTHALOCYANINE FORMULATION AND USES THEREOF LI-COR, INC. (US) 2018-03-22 US disclosed
US-9845430-B2 Phthalocyanine formulation and uses thereof LI-COR, INC. (US) 2017-12-19 US disclosed
US-20150267108-A1 PHTHALOCYANINE FORMULATION AND USES THEREOF LI-COR BIOTECH, LLC 2015-09-24 US disclosed
US-8192948-B1 Chemifluorescent substrate for peroxide and peroxidase detection PIERCE BIOTECHNOLOGY, INC. (US) 2012-06-05 US disclosed
EP-0361470-B1 Method for the chemiluminescence assay of the activity of peroxidase FUJIREBIO KK (JP) 1993-12-22 EP disclosed
US-5171668-A Measuring light emitted from contacting (iso)luminol, peroxide, peroxidase activity enhancer, such as indoanilines, phenolindophenol and N-methylphenothiazine, with labeled peroxidase antibody-antigen complex FUJIREBIO INC. (JP) 1992-12-15 US disclosed
EP-0361470-A2 Method for the chemiluminescence assay of the activity of peroxidase FUJIREBIO INC. (JP) 1990-04-04 EP disclosed