SCHEMBL8637992

SCHEMBL8637992

C[S+]([O-])c1ccc(-c2[nH]nc(Cl)c2-c2ccc(F)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.46
PTGS2 P35354 3/20 0.36
TYMP P19971 1/20 0.34
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPK13 O15264 2/20 0.33
MAPK12 P53778 2/20 0.33
MAPK11 Q15759 2/20 0.33
RPS6KA3 P51812 1/20 0.32
ALK Q9UM73 1/20 0.32
AXL P30530 1/20 0.31
KEAP1 Q14145 1/20 0.31
ILK Q13418 1/20 0.31

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
SCHEMBL8200029 0.82 XDH (0.39) MAPK14MAPK1NPSR1MAPK13MAPK12
SCHEMBL8201683 0.81 MAPK14 (0.44) MAPK14PTGS2MAPK1NPSR1MAPK13
SCHEMBL8194840 0.79 MAPT (0.37) MAPK14MAPK1NPSR1
SCHEMBL8639382 0.77 MAPK14 (0.44) MAPK14PTGS2TYMPMAPK13MAPK12
SCHEMBL8195999 0.75 MAPK14 (0.43) MAPK14PTGS2TYMPMAPK1MAPK13
SCHEMBL444633 0.71 ACHE (0.41)
SCHEMBL14467510 0.71 ACHE (0.41)
SCHEMBL8196073 0.70 ENPP1 (0.35) MAPK14PTGS2MAPK1NPSR1RPS6KA3
SCHEMBL8196926 0.69 CA2 (0.42) MAPK14PTGS2
SCHEMBL8201927 0.68 IKBKE (0.39) PTGS2MAPK1RPS6KA3AXL

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-0856000-A1 1,3,5-TRISUBSTITUTED PYRAZOLES FOR TREAMENT OF INFLAMMATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-08-05 EP disclosed
WO-1997013755-A1 1,3,5-TRISUBSTITUTED PYRAZOLES FOR TREAMENT OF INFLAMMATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-04-17 WO disclosed