SCHEMBL9753328

SCHEMBL9753328

CC(C)c1c(CO)c(-c2ccc(F)cc2)nn2c(Sc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)ccc12

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
TGFBR1 P36897 5/20 0.31
GCGR P47871 3/20 0.31
TGFBR2 P37173 1/20 0.31
CSNK1D P48730 1/20 0.30
CSNK1E P49674 1/20 0.30

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
SCHEMBL9753395 0.85 DHODH (0.36) PTGS1PTGS2CSNK1DCSNK1E
SCHEMBL9753039 0.85 PTGS1 (0.33) PTGS1PTGS2
SCHEMBL9753358 0.82 GABBR2 (0.34) PTGS1PTGS2
SCHEMBL9753366 0.82 GABBR2 (0.34) PTGS1PTGS2
SCHEMBL9753720 0.80 GCGR (0.38) TGFBR1GCGRTGFBR2CSNK1DCSNK1E
SCHEMBL27529261 0.78 PTGS1 (0.31) PTGS1PTGS2
SCHEMBL9753406 0.78 GCGR (0.38) TGFBR1GCGRTGFBR2CSNK1DCSNK1E
SCHEMBL9753309 0.75 MAPK14 (0.43) PTGS2TGFBR1GCGRTGFBR2
SCHEMBL9753771 0.75 GCGR (0.40) TGFBR1GCGRTGFBR2
SCHEMBL9752952 0.74 GCGR (0.39) PTGS1PTGS2TGFBR1GCGRTGFBR2

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