SCHEMBL7846617

SCHEMBL7846617

CSc1ccc(-c2sc(-c3ccccc3Cl)nc2-c2ccsc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.70
PTGS1 P23219 4/20 0.47
ALDH1A1 P00352 3/20 0.37
RXFP1 Q9HBX9 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CDC7 O00311 1/20 0.35
DBF4 Q9UBU7 1/20 0.35
MEN1 O00255 1/20 0.34
PPARG P37231 1/20 0.34
KMT2A Q03164 1/20 0.34
NCOA2 Q15596 1/20 0.34
NCOA1 Q15788 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
FABP4 P15090 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL7843817 0.87 PTGS2 (0.67) PTGS2PTGS1ALDH1A1RXFP1KDM4E
SCHEMBL7844537 0.87 PTGS2 (0.56) PTGS2PTGS1ALDH1A1RXFP1KDM4E
SCHEMBL7832423 0.86 PTGS2 (0.59) PTGS2PTGS1ALDH1A1RXFP1KDM4E
SCHEMBL7846283 0.85 PTGS2 (0.58) PTGS2PTGS1ALDH1A1RXFP1KDM4E
SCHEMBL7842143 0.85 PTGS2 (0.58) PTGS2PTGS1ALDH1A1RXFP1KDM4E
SCHEMBL7842639 0.84 PTGS2 (0.69) PTGS2PTGS1ALDH1A1RXFP1KDM4E
SCHEMBL7844836 0.83 PTGS2 (0.56) PTGS2PTGS1ALDH1A1RXFP1KDM4E
SCHEMBL7846626 0.82 PTGS2 (0.52) PTGS2PTGS1ALDH1A1RXFP1KDM4E
SCHEMBL7832505 0.82 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8796756 0.82 PTGS2 (0.70) PTGS2PTGS1ALDH1A1RXFP1KDM4E

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