SCHEMBL7843869

SCHEMBL7843869

CSc1ccc(-c2sc(-c3ccccc3Cl)nc2-c2cccc(F)c2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.71
PTGS1 P23219 3/20 0.53
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
CYP1A1 P04798 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP1B1 Q16678 1/20 0.40
RXFP1 Q9HBX9 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.35
MEN1 O00255 1/20 0.35
PPARG P37231 1/20 0.35
KMT2A Q03164 1/20 0.35
NCOA2 Q15596 1/20 0.35
NCOA1 Q15788 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL7842639 0.89 PTGS2 (0.69) PTGS2PTGS1RXFP1KDM4EALDH1A1
SCHEMBL7843817 0.87 PTGS2 (0.67) PTGS2PTGS1CYP1A1CYP1A2CYP1B1
SCHEMBL7843831 0.86 PTGS2 (0.71) PTGS2PTGS1MAPK14RXFP1KDM4E
SCHEMBL7844537 0.85 PTGS2 (0.56) PTGS2PTGS1CYP1A1CYP1A2CYP1B1
SCHEMBL7832878 0.84 PTGS2 (0.69) PTGS2PTGS1RXFP1KDM4EALDH1A1
SCHEMBL7832423 0.84 PTGS2 (0.59) PTGS2PTGS1RXFP1KDM4EALDH1A1
SCHEMBL7840959 0.83 PTGS2 (1.00) PTGS2PTGS1MAPK14
SCHEMBL7846283 0.83 PTGS2 (0.58) PTGS2PTGS1RXFP1KDM4EALDH1A1
SCHEMBL7842143 0.83 PTGS2 (0.58) PTGS2PTGS1RXFP1KDM4EALDH1A1
SCHEMBL7844836 0.81 PTGS2 (0.56) PTGS2PTGS1RXFP1KDM4EALDH1A1

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 2 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