SCHEMBL9753497

SCHEMBL9753497

CC(C)c1c(/C=C/C=O)c(-c2ccc(F)cc2F)nn2cccc12

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.31
MAPK13 O15264 3/20 0.31
MAPK12 P53778 3/20 0.31
MAPK11 Q15759 3/20 0.31
KCNH2 Q12809 1/20 0.31
PRKD3 O94806 1/20 0.31
MAP4K4 O95819 1/20 0.31
MAPK9 P45984 1/20 0.31
CSNK1D P48730 1/20 0.31
MINK1 Q8N4C8 1/20 0.31
PRKD2 Q9BZL6 1/20 0.31
MEN1 O00255 1/20 0.31
PDE5A O76074 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
MIF P14174 1/20 0.31
TSHR P16473 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
SCHEMBL9753499 1.00 MAPK14 (0.31) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL9752975 0.90 TP53 (0.34) MAPK14MAPK13MAPK12MAPK11
SCHEMBL9752977 0.90 TP53 (0.34) MAPK14MAPK13MAPK12MAPK11
SCHEMBL9752941 0.89 ALDH1A1 (0.35) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL9753160 0.85 MAPK14 (0.41) MAPK14MEN1PDE5AALDH1A1CYP1A2
SCHEMBL9753157 0.85 MAPK14 (0.41) MAPK14MEN1PDE5AALDH1A1CYP1A2
SCHEMBL9753721 0.82 PTGS2 (0.32) MAPK14MEN1PDE5AALDH1A1CYP1A2
SCHEMBL9753724 0.82 PTGS2 (0.32) MAPK14MEN1PDE5AALDH1A1CYP1A2
SCHEMBL9752932 0.80 PTGS2 (0.34) MAPK14ADORA2AADORA1
SCHEMBL9752930 0.80 PTGS2 (0.34) MAPK14ADORA2AADORA1

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