SCHEMBL7846538

SCHEMBL7846538

NS(=O)(=O)c1ccc(-c2nc(NC(=O)c3cc(Cl)cc(Cl)c3)sc2-c2ccc(F)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 6/20 0.57
▸ PTGS1 P23219 5/20 0.57
▸ SMN1; SMN2 Q16637 6/20 0.47
▸ KMT2A Q03164 5/20 0.47
▸ MAPT P10636 4/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ PIK3CD O00329 1/20 0.47
▸ PIK3CA P42336 1/20 0.47
▸ PIK3CB P42338 1/20 0.47
▸ PIK3CG P48736 1/20 0.47
▸ HPGD P15428 2/20 0.46
▸ NPC1 O15118 2/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ RECQL P46063 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ PLTP P55058 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
SCHEMBL7833908 1.00 PTGS2 (0.57) PTGS2PTGS1SMN1; SMN2KMT2AMAPT
SCHEMBL7846003 0.91 PTGS1 (0.52) PTGS2PTGS1SMN1; SMN2KMT2AMAPT
SCHEMBL7842893 0.91 PTGS1 (0.52) PTGS2PTGS1SMN1; SMN2KMT2AMAPT
SCHEMBL7842167 0.91 PTGS2 (0.49) PTGS2PTGS1SMN1; SMN2KMT2AMAPT
SCHEMBL7834435 0.91 PTGS2 (0.49) PTGS2PTGS1SMN1; SMN2KMT2AMAPT
SCHEMBL7839881 0.90 PTGS2 (0.58) PTGS2PTGS1KMT2AMEN1PIK3CD
SCHEMBL7840951 0.90 PTGS2 (0.58) PTGS2PTGS1KMT2AMEN1PIK3CD
SCHEMBL7842901 0.90 SMN1; SMN2 (0.56) PTGS2PTGS1SMN1; SMN2KMT2AMAPT
SCHEMBL7840997 0.90 SMN1; SMN2 (0.56) PTGS2PTGS1SMN1; SMN2KMT2AMAPT
SCHEMBL7832857 0.87 SMN1; SMN2 (0.58) PTGS2PTGS1SMN1; SMN2KMT2AMAPT

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
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