SCHEMBL7847201

SCHEMBL7847201

CCOC(=O)c1cccc(Nc2nc(-c3ccc(F)cc3)c(-c3ccc(S(C)(=O)=O)cc3)s2)c1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.64
PTGS1 P23219 2/20 0.50
DHODH Q02127 6/20 0.49
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 1/20 0.45

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
SCHEMBL7833260 0.92 PTGS2 (0.53) PTGS2PTGS1DHODHKDM4EALDH1A1
SCHEMBL7842530 0.89 PTGS2 (0.68) PTGS2PTGS1DHODHKDM4EALDH1A1
SCHEMBL7847205 0.87 PTGS2 (0.47) PTGS2DHODHKDM4EALDH1A1LMNA
SCHEMBL7845452 0.87 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL7833262 0.83 DHODH (0.46) PTGS2DHODHKDM4EALDH1A1LMNA
SCHEMBL7843975 0.81 PTGS2 (0.56) PTGS2DHODHKDM4EALDH1A1LMNA
SCHEMBL7843369 0.78 CCNA2 (0.52) PTGS2PTGS1SMN1; SMN2MAPT
SCHEMBL7845730 0.78 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL7832494 0.78 PTGS2 (0.57) PTGS2PTGS1NPC1RAB9A
SCHEMBL7842533 0.78 PTGS2 (0.49) PTGS2DHODHKDM4EALDH1A1LMNA

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 4 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
US-5668161-A Substituted thiazoles for the treatment of inflammation G.D. SEARLE & CO. (US) 1997-09-16 US 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