SCHEMBL9752973

SCHEMBL9752973

Cc1ccc2c(C(C)C)c(C=S)c(-c3ccc(F)cc3)nn12

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.43
PTGS2 P35354 8/20 0.37
KDM5B Q9UGL1 1/20 0.34
CSNK1D P48730 2/20 0.33
CSNK1A1 P48729 1/20 0.33
CSNK1E P49674 1/20 0.33
MAPK9 P45984 1/20 0.32
MAPK10 P53779 1/20 0.32
PTGS1 P23219 1/20 0.32
GCGR P47871 1/20 0.32
CYP17A1 P05093 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL9752928 0.88 MAPK14 (0.43) MAPK14PTGS2KDM5BCSNK1DCSNK1A1
SCHEMBL9753682 0.83 MAPK14 (0.40) MAPK14PTGS2KDM5BCSNK1DCSNK1A1
SCHEMBL9753686 0.83 MAPK14 (0.40) MAPK14PTGS2KDM5BCSNK1DCSNK1A1
SCHEMBL9753309 0.78 MAPK14 (0.43) MAPK14PTGS2KDM5BGCGR
SCHEMBL9753416 0.75 POLB (0.37) MAPK14PTGS2KDM5BPTGS1
SCHEMBL9752986 0.75 MAPK14 (0.38) MAPK14PTGS2GCGRNPC1RAB9A
SCHEMBL9753114 0.74 MAPK14 (0.42) MAPK14PTGS2KDM5BPTGS1
SCHEMBL9753119 0.74 PTGS2 (0.36) PTGS2KDM5BPTGS1HTR2AHTR2C
SCHEMBL9753359 0.74 HMGCR (0.54) PTGS2
SCHEMBL9753314 0.72 KDM5B (0.34) MAPK14PTGS2KDM5BPTGS1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991018903-A1 PYRROLOPYRIDAZINE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-12-12 WO disclosed