SCHEMBL9753293

SCHEMBL9753293

Cc1cc(C)n2nc(-c3ccc(F)cc3)c(CO)c(C(C)C)c12

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GCGR P47871 12/20 0.41
PTGS2 P35354 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CSNK1D P48730 1/20 0.34
CSNK1E P49674 1/20 0.34

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
SCHEMBL9752978 0.87 DHODH (0.41) GCGRSMN1; SMN2
SCHEMBL9753309 0.81 MAPK14 (0.43) GCGRPTGS2
SCHEMBL27352605 0.80 KDM4E (0.38) PTGS2NPC1RAB9ASMN1; SMN2CSNK1D
SCHEMBL9753342 0.79 GCGR (0.55) GCGR
SCHEMBL9752971 0.79 PTGS2 (0.39) PTGS2NPC1RAB9ASMN1; SMN2
SCHEMBL9752936 0.78 ALDH1A1 (0.44) PTGS2NPC1RAB9ASMN1; SMN2
SCHEMBL9753771 0.76 GCGR (0.40) GCGR
SCHEMBL9753671 0.75 PTGS2 (0.37) PTGS2NPC1RAB9ASMN1; SMN2
SCHEMBL9753676 0.75 PTGS2 (0.37) PTGS2NPC1RAB9ASMN1; SMN2
SCHEMBL9752952 0.75 GCGR (0.39) GCGRPTGS2CSNK1DCSNK1E

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
WO-1991018903-A1 PYRROLOPYRIDAZINE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-12-12 WO disclosed
CN-1056690-A PYRROLOPYRIDAZINE COMPOUNDS FUJISAWA PHARMACEUTICAL CO (JP) 1991-12-04 CN disclosed