SCHEMBL10964800

SCHEMBL10964800

COc1ccc(-c2nc([S+]([O-])CCO)[nH]c2-c2ccc(OC)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 1/20 0.50
MAPT P10636 5/20 0.46
TP53 P04637 2/20 0.46
SMPD3 Q9NY59 1/20 0.46
KMT2A Q03164 6/20 0.44
MEN1 O00255 5/20 0.44
ALDH1A1 P00352 4/20 0.44
HPGD P15428 4/20 0.44
KDM4E B2RXH2 2/20 0.44
CYP1A2 P05177 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
CYP2C19 P33261 1/20 0.44
GFER P55789 1/20 0.44
MAPK13 O15264 2/20 0.43
MAPK12 P53778 2/20 0.43
MAPK11 Q15759 2/20 0.43
MAPK14 Q16539 2/20 0.43
PDE10A Q9Y233 1/20 0.43
RAF1 P04049 1/20 0.43

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
SCHEMBL11416338 0.85 NOX1 (0.50) NOX1MAPTTP53SMPD3KMT2A
SCHEMBL10963408 0.85 KDM4E (0.40) NOX1MAPTSMPD3KMT2AMEN1
SCHEMBL10965124 0.83 MAPK14 (0.47) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL10965783 0.83 MAPK14 (0.43) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL10963611 0.82 NOX1 (0.47) NOX1MAPTTP53SMPD3KMT2A
SCHEMBL11410108 0.82 NOX1 (0.47) NOX1MAPTTP53SMPD3KMT2A
SCHEMBL11410897 0.81 NOX1 (0.46) NOX1MAPTTP53SMPD3KMT2A
SCHEMBL11498999 0.81 NOX1 (0.46) NOX1MAPTTP53SMPD3KMT2A
SCHEMBL10804559 0.80 NOX1 (0.45) NOX1MAPTTP53SMPD3KMT2A
SCHEMBL10961220 0.80 NOX1 (0.48) NOX1MAPTTP53SMPD3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0005545-B1 IMIDAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCHERING AKTIENGESELLSCHAFT (DE) 1985-09-18 EP claimed
US-4355039-A Antiinflammatory-4,5-diaryl-2-substituted-thio-imidazoles and their corresponding sulfoxides and sulfones SCHERING, AKTIENGESELLSCHAFT (DE) 1982-10-19 US claimed
EP-0005545-A2 Imidazole derivatives, process for their preparation and pharmaceutical compositions containing them SCHERING AKTIENGESELLSCHAFT (DE) 1979-11-28 EP claimed
EP-0005545-B1 IMIDAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCHERING AKTIENGESELLSCHAFT (DE) 1985-09-18 EP disclosed
US-4440776-A ANTIARTHRITIC AGENTS; ANTIALLERGENS; BRONCHODILATOR AGENTS; SKIN DORDERS SCHERING AKTIENGESELLSCHAFT (DE) 1984-04-03 US disclosed
US-4355039-A Antiinflammatory-4,5-diaryl-2-substituted-thio-imidazoles and their corresponding sulfoxides and sulfones SCHERING, AKTIENGESELLSCHAFT (DE) 1982-10-19 US disclosed
US-4269847-A ANTIALLERGENS; DERIVATIVES OF 4,5-BIS/PHENYL-2-MERCAPTO-, THIO-, S SCHERING AKTIENGESELLSCHAFT (DE) 1981-05-26 US disclosed
EP-0005545-A2 Imidazole derivatives, process for their preparation and pharmaceutical compositions containing them SCHERING AKTIENGESELLSCHAFT (DE) 1979-11-28 EP disclosed