SCHEMBL7846283

SCHEMBL7846283

CSc1ccc(-c2sc(-c3ccccc3Cl)nc2-c2ccc(Br)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.58
PTGS1 P23219 2/20 0.52
ALDH1A1 P00352 3/20 0.42
RXFP1 Q9HBX9 2/20 0.42
KDM4E B2RXH2 2/20 0.42
PPARG P37231 2/20 0.38
NCOA2 Q15596 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
XIAP P98170 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
LMNA P02545 3/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
FABP4 P15090 1/20 0.36

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 0.93 PTGS2 (0.67) PTGS2PTGS1ALDH1A1RXFP1KDM4E
SCHEMBL7832423 0.91 PTGS2 (0.59) PTGS2PTGS1ALDH1A1RXFP1KDM4E
SCHEMBL7842143 0.90 PTGS2 (0.58) PTGS2PTGS1ALDH1A1RXFP1KDM4E
SCHEMBL7844537 0.90 PTGS2 (0.56) PTGS2PTGS1ALDH1A1RXFP1KDM4E
SCHEMBL7842639 0.89 PTGS2 (0.69) PTGS2PTGS1ALDH1A1RXFP1KDM4E
SCHEMBL7844836 0.88 PTGS2 (0.56) PTGS2PTGS1ALDH1A1RXFP1KDM4E
SCHEMBL7846626 0.85 PTGS2 (0.52) PTGS2PTGS1ALDH1A1RXFP1KDM4E
SCHEMBL7844305 0.85 PTGS2 (0.81) PTGS2PTGS1
SCHEMBL7841912 0.85 PTGS2 (0.81) PTGS2PTGS1
SCHEMBL7846617 0.85 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