SCHEMBL7843582

SCHEMBL7843582

NS(=O)(=O)c1ccc(-c2sc(NC(=O)c3cccc(Br)c3)nc2-c2ccc(F)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.49
PTGS1 P23219 2/20 0.49
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
KMT2A Q03164 4/20 0.46
HPGD P15428 2/20 0.46
MAPT P10636 6/20 0.46
LMNA P02545 1/20 0.45
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 2/20 0.45
NPC1 O15118 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
PIK3CG P48736 1/20 0.44
ADORA3 P0DMS8 4/20 0.44
ADORA1 P30542 3/20 0.44
ADORA2A P29274 2/20 0.44

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
SCHEMBL7845250 1.00 PTGS2 (0.49) PTGS2PTGS1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL7840984 0.91 CCNA2 (0.51) PTGS2PTGS1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL7845012 0.91 CCNA2 (0.51) PTGS2PTGS1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL7839831 0.91 PTGS2 (0.53) PTGS2PTGS1MAPTLMNAUSP2
SCHEMBL7832235 0.91 PTGS2 (0.53) PTGS2PTGS1MAPTLMNAUSP2
SCHEMBL7842893 0.89 PTGS1 (0.52) PTGS2PTGS1SMN1; SMN2KMT2AHPGD
SCHEMBL7846003 0.89 PTGS1 (0.52) PTGS2PTGS1SMN1; SMN2KMT2AHPGD
SCHEMBL7840988 0.88 PTGS2 (0.55) PTGS2PTGS1SMN1; SMN2KMT2AHPGD
SCHEMBL7842622 0.88 PTGS2 (0.55) PTGS2PTGS1SMN1; SMN2KMT2AHPGD
SCHEMBL7843934 0.88 SMN1; SMN2 (0.58) PTGS2PTGS1ALDH1A1SMN1; SMN2KMT2A

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