SCHEMBL10938366

SCHEMBL10938366

CS(=O)(=O)N(c1cc2c(cc1Oc1ccc(F)cc1F)C(=O)CC2)S(C)(=O)=O

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.69
MAPK14 Q16539 2/20 0.47
PTGS1 P23219 1/20 0.46
BRD4 O60885 9/20 0.42
BRD2 P25440 1/20 0.40
BRD3 Q15059 1/20 0.40
BRDT Q58F21 1/20 0.40
CREBBP Q92793 1/20 0.40
EPAS1 Q99814 1/20 0.37

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
SCHEMBL10936759 0.89 PTGS2 (0.61) PTGS2MAPK14PTGS1BRD4BRD2
Flosulide SCHEMBL29454969 0.81 PTGS2 (1.00) PTGS2MAPK14PTGS1BRD4
Flosulide SCHEMBL195509 0.81 PTGS2 (1.00) PTGS2MAPK14PTGS1BRD4
Flosulide SCHEMBL29383035 0.81 PTGS2 (1.00) PTGS2MAPK14PTGS1BRD4
SCHEMBL10942403 0.79 PTGS2 (0.62) PTGS2MAPK14PTGS1BRD4
SCHEMBL14462977 0.77 PTGS2 (0.80) PTGS2MAPK14PTGS1BRD4
SCHEMBL10939372 0.74 PTGS2 (0.69) PTGS2MAPK14PTGS1BRD4
SCHEMBL11150103 0.72 HSPB1 (0.57) PTGS2MAPK14
SCHEMBL10937966 0.72 PTGS2 (0.63) PTGS2MAPK14PTGS1BRD4
SCHEMBL10940467 0.72 PTGS2 (0.42) PTGS2MAPK14PTGS1BRD4BRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0056956-B1 INDANYL DERIVATIVES THEIR PREPARATION AND THEIR USE SCHERING AKTIENGESELLSCHAFT (DE) 1985-11-27 EP disclosed
US-4375479-A ANTIINFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 1983-03-01 US disclosed
EP-0056956-A2 Indanyl derivatives their preparation and their use SCHERING AKTIENGESELLSCHAFT (DE) 1982-08-04 EP disclosed