SCHEMBL7845012

SCHEMBL7845012

NS(=O)(=O)c1ccc(-c2nc(NC(=O)c3cccc(F)c3)sc2-c2ccc(F)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.51
CDK2 P24941 1/20 0.51
PTGS1 P23219 4/20 0.49
PTGS2 P35354 4/20 0.49
KMT2A Q03164 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
HPGD P15428 2/20 0.48
MAPT P10636 4/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
ADORA3 P0DMS8 2/20 0.48
ADORA2A P29274 2/20 0.48
ADORA1 P30542 2/20 0.48
MEN1 O00255 3/20 0.47
KDM4E B2RXH2 2/20 0.47
NPC1 O15118 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
PIK3CD O00329 1/20 0.47
PIK3CA P42336 1/20 0.47

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
SCHEMBL7840984 1.00 CCNA2 (0.51) CCNA2CDK2PTGS1PTGS2KMT2A
SCHEMBL7842893 0.91 PTGS1 (0.52) CCNA2CDK2PTGS1PTGS2KMT2A
SCHEMBL7843582 0.91 PTGS2 (0.49) PTGS1PTGS2KMT2ASMN1; SMN2HPGD
SCHEMBL7845250 0.91 PTGS2 (0.49) PTGS1PTGS2KMT2ASMN1; SMN2HPGD
SCHEMBL7846003 0.91 PTGS1 (0.52) CCNA2CDK2PTGS1PTGS2KMT2A
SCHEMBL7834435 0.91 PTGS2 (0.49) PTGS1PTGS2KMT2ASMN1; SMN2HPGD
SCHEMBL7842167 0.91 PTGS2 (0.49) PTGS1PTGS2KMT2ASMN1; SMN2HPGD
SCHEMBL7843934 0.91 SMN1; SMN2 (0.58) PTGS1PTGS2KMT2ASMN1; SMN2HPGD
SCHEMBL7832857 0.91 SMN1; SMN2 (0.58) PTGS1PTGS2KMT2ASMN1; SMN2HPGD
SCHEMBL7842695 0.90 PTGS2 (0.55) PTGS1PTGS2KMT2ASMN1; SMN2MAPT

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