SCHEMBL9753426

SCHEMBL9753426

C=CCc1ccc2c(C(C)C)c(CO)c(-c3ccc(F)cc3)nn12

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GCGR P47871 13/20 0.40
TGFBR1 P36897 3/20 0.33
TGFBR2 P37173 2/20 0.33
CASR P41180 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM5B Q9UGL1 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
SCHEMBL9752983 0.86 GCGR (0.43) GCGRTGFBR1TGFBR2
SCHEMBL9753345 0.83 PTGS2 (0.33) GCGRALDH1A1MAPTCYP2C9HPGD
SCHEMBL9753771 0.82 GCGR (0.40) GCGRTGFBR1TGFBR2KDM5B
SCHEMBL9753309 0.82 MAPK14 (0.43) GCGRTGFBR1TGFBR2KDM5B
SCHEMBL9752952 0.81 GCGR (0.39) GCGRTGFBR1TGFBR2KDM5B
SCHEMBL9753336 0.81 MAPK14 (0.42) GCGRTGFBR1TGFBR2KDM5B
SCHEMBL9753125 0.80 GCGR (0.37) GCGRKDM5B
SCHEMBL9753351 0.79 PTGS2 (0.32) KDM5B
SCHEMBL9753651 0.79 ALDH1A1 (0.39) TGFBR1ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL9753720 0.79 GCGR (0.38) GCGRTGFBR1TGFBR2KDM5B

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