SCHEMBL7841748

SCHEMBL7841748

CS(=O)(=O)c1ccc(-c2nc(NC(=O)c3ccc(Br)cc3)sc2-c2ccc(F)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.56
L3MBTL1 Q9Y468 2/20 0.53
USP2 O75604 1/20 0.53
PTGS1 P23219 2/20 0.53
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
KMT2A Q03164 3/20 0.53
KDM4E B2RXH2 1/20 0.53
NPC1 O15118 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
HPGD P15428 2/20 0.52
MAPT P10636 3/20 0.51
RECQL P46063 1/20 0.51
MEN1 O00255 1/20 0.51
THRB P10828 1/20 0.51

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
SCHEMBL7844500 1.00 PTGS2 (0.56) PTGS2L3MBTL1USP2PTGS1LMNA
SCHEMBL7846092 0.95 PTGS2 (0.61) PTGS2L3MBTL1USP2PTGS1LMNA
SCHEMBL7833741 0.95 PTGS2 (0.61) PTGS2L3MBTL1USP2PTGS1LMNA
SCHEMBL7847022 0.91 PTGS2 (0.60) PTGS2L3MBTL1USP2PTGS1LMNA
SCHEMBL7843109 0.91 PTGS2 (0.60) PTGS2L3MBTL1USP2PTGS1LMNA
SCHEMBL7842268 0.90 PTGS2 (0.65) PTGS2L3MBTL1USP2PTGS1LMNA
SCHEMBL7842622 0.90 PTGS2 (0.55) PTGS2L3MBTL1PTGS1LMNASMN1; SMN2
SCHEMBL7840988 0.90 PTGS2 (0.55) PTGS2L3MBTL1PTGS1LMNASMN1; SMN2
SCHEMBL7842479 0.90 PTGS2 (0.62) PTGS2L3MBTL1USP2PTGS1SMN1; SMN2
SCHEMBL7846124 0.90 PTGS2 (0.62) PTGS2L3MBTL1USP2PTGS1SMN1; SMN2

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