SCHEMBL7834076

SCHEMBL7834076

COc1ccc(-c2nc(NCc3ccccc3)sc2-c2ccc(S(N)(=O)=O)cc2)cc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 1.00
PTGS1 P23219 13/20 1.00
ROCK2 O75116 1/20 0.47
GSK3B P49841 1/20 0.47
CDK2 P24941 1/20 0.46
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL7841561 0.83 PTGS2 (0.71) PTGS2PTGS1ROCK2GSK3B
SCHEMBL7841871 0.79 PTGS2 (1.00) PTGS2PTGS1CDK2
SCHEMBL7841503 0.76 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL216750 0.76 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL11368657 0.74 PTGS2 (0.65) PTGS2PTGS1ROCK2GSK3BMAPT
SCHEMBL7505035 0.73 PTGS2 (0.57) PTGS2PTGS1CDK2MAPT
SCHEMBL7832876 0.72 PTGS2 (0.93) PTGS2PTGS1
SCHEMBL7846478 0.72 PTGS2 (0.56) PTGS2PTGS1ROCK2GSK3B
SCHEMBL6170748 0.71 PTGS2 (0.55) PTGS2PTGS1LMNA
SCHEMBL7501679 0.71 PTGS2 (0.55) PTGS2PTGS1CDK2MAPT

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-1125932-A2 Substituted thiazoles for the treatment of inflammation G.D. SEARLE & CO. (US) 2001-08-22 EP disclosed
EP-0772606-A1 SUBSTITUTED THIAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP disclosed
WO-1996003392-A1 SUBSTITUTED THIAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 WO disclosed