SCHEMBL9178686

SCHEMBL9178686

Cn1c(=S(=O)=O)[s+]([O-])c2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.34
CA12 O43570 1/20 0.32
BRD4 O60885 1/20 0.32
BRPF1 P55201 1/20 0.32
CA9 Q16790 1/20 0.32
KAT2B Q92831 1/20 0.32
BRD9 Q9H8M2 1/20 0.32
EGFR P00533 2/20 0.31
HDAC6 Q9UBN7 1/20 0.31
KDM4E B2RXH2 1/20 0.30
NQO2 P16083 1/20 0.30

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
SCHEMBL10349320 0.69 GPR3 (0.33) GPR3
SCHEMBL2525218 0.65 GPR3 (0.44) GPR3CA12BRD4BRPF1CA9
SCHEMBL7651624 0.57 MEN1 (0.38) CA12CA9KDM4E
SCHEMBL474339 0.56 CYP1A2 (0.55) GPR3CA12BRD4BRPF1CA9
SCHEMBL1278798 0.56 GABRA5 (0.55) GPR3CA12BRD4BRPF1CA9
SCHEMBL31093975 0.56 GABRA5 (0.55) GPR3CA12BRD4BRPF1CA9
SCHEMBL29798837 0.56 CYP1A2 (0.55) GPR3CA12BRD4BRPF1CA9
Hydrochloric Acid SCHEMBL30293270 0.54 CYP1A2 (0.53) GPR3CA12BRD4BRPF1CA9
SCHEMBL14374138 0.53 GPR3 (0.53) GPR3CA12BRD4BRPF1CA9
SCHEMBL10014869 0.53 GPR3 (0.60) GPR3CA12BRD4BRPF1CA9

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0420893-B1 REDUCIBLE INDICATORS CONTAINING PYROGALLOL AND USE THEREOF BOEHRINGER MANNHEIM CORP (US) 1995-07-26 EP disclosed
US-5084395-A A chromogen and a pyrogallol derivative as a detector BOEHRINGER MANNHEIM GMBH (DE) 1992-01-28 US disclosed
EP-0420893-A4 REDUCIBLE INDICATORS CONTAINING PYROGALLOL AND USE THEREOF 1991-09-25 EP disclosed
EP-0420893-A1 REDUCIBLE INDICATORS CONTAINING PYROGALLOL AND USE THEREOF. BOEHRINGER MANNHEIM CORP (US) 1991-04-10 EP disclosed
US-4971918-A KIT WITH A DETECTABLE COLOR SIGNAL FOR DETECTION OF BLOOD, UR INE ETC FOR DRUGS, GLUCOSE BOEHRINGER MANNHEIM CORPORATION (US) 1990-11-20 US disclosed
WO-1989011643-A1 REDUCIBLE INDICATORS CONTAINING PYROGALLOL AND USE THEREOF BOEHRINGER MANNHEIM CORPORATION (US) 1989-11-30 WO disclosed
US-4224407-A USING L-LYSINE A-OXIDASE YAMASA SHOYU KABUSHIKI KAISHA (JP) 1980-09-23 US disclosed