SCHEMBL7843831

SCHEMBL7843831

CSc1ccc(-c2sc(-c3ccccc3Cl)nc2-c2ccc(F)cc2F)cc1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.71
PTGS1 P23219 3/20 0.71
MAPT P10636 1/20 0.38
HSD11B1 P28845 1/20 0.36
APEX1 P27695 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
MAPK14 Q16539 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
SCHEMBL7832878 0.90 PTGS2 (0.69) PTGS2PTGS1MAPTAPEX1KDM4E
SCHEMBL7842639 0.88 PTGS2 (0.69) PTGS2PTGS1MAPTAPEX1KDM4E
SCHEMBL7844537 0.86 PTGS2 (0.56) PTGS2PTGS1MAPTKDM4EALDH1A1
SCHEMBL7843869 0.86 PTGS2 (0.71) PTGS2PTGS1MAPTKDM4EALDH1A1
SCHEMBL7842478 0.83 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7846626 0.82 PTGS2 (0.52) PTGS2PTGS1MAPTAPEX1KDM4E
SCHEMBL7843817 0.82 PTGS2 (0.67) PTGS2PTGS1MAPTKDM4EALDH1A1
SCHEMBL7831967 0.81 PTGS2 (0.81) PTGS2PTGS1
SCHEMBL7832423 0.81 PTGS2 (0.59) PTGS2PTGS1MAPTAPEX1KDM4E
SCHEMBL7846283 0.80 PTGS2 (0.58) PTGS2PTGS1MAPTKDM4EALDH1A1

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