SCHEMBL8916244

SCHEMBL8916244

COc1ccc2c(ccc3c(C(N)=O)nn(-c4ccc(S(C)(=O)=O)cc4)c32)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.42
PTGS1 P23219 4/20 0.42
CCNA2 P20248 2/20 0.42
CDK2 P24941 2/20 0.42
CCNA1 P78396 2/20 0.42
MAP3K14 Q99558 1/20 0.37
LRRK2 Q5S007 1/20 0.36

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
SCHEMBL8916189 0.92 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL9229223 0.90 PTGS2 (0.40) PTGS2PTGS1
SCHEMBL8917527 0.90 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL8920714 0.87 PTGS2 (0.46) PTGS2
SCHEMBL8917392 0.83 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL9234798 0.83 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL8917741 0.80 CA9 (0.52) PTGS2PTGS1
SCHEMBL8918689 0.80 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL8918668 0.76 CA12 (0.46) PTGS2PTGS1LRRK2
SCHEMBL6353757 0.75 CCNA2 (0.44) PTGS2PTGS1CCNA2CDK2CCNA1

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
WO-1996009293-A1 BENZ[g]INDAZOLYL DERIVATIVES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-03-28 WO claimed
US-5696143-A ARTHRITIS THERAPY G.D. SEARLE & CO. 1997-12-09 US disclosed
WO-1996009293-A1 BENZ[g]INDAZOLYL DERIVATIVES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-03-28 WO disclosed