SCHEMBL9753416

SCHEMBL9753416

CC(C)c1c(C=O)c(-c2ccc(F)cc2)nn2c(C(C)C)ccc12

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
KDM5B Q9UGL1 1/20 0.36
ALDH1A1 P00352 2/20 0.34
PTGS2 P35354 7/20 0.34
KMT2A Q03164 1/20 0.34
PTGS1 P23219 1/20 0.34
MAPK14 Q16539 1/20 0.33
HMGCR P04035 2/20 0.32
KCNK3 O14649 3/20 0.32

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
SCHEMBL9752990 0.88 KDM5B (0.34) POLBKDM5BPTGS2PTGS1MAPK14
SCHEMBL9752989 0.88 KDM5B (0.34) POLBKDM5BPTGS2PTGS1MAPK14
SCHEMBL9752928 0.88 MAPK14 (0.43) POLBKDM5BALDH1A1PTGS2KMT2A
SCHEMBL9753119 0.86 PTGS2 (0.36) POLBKDM5BALDH1A1PTGS2KMT2A
SCHEMBL9753114 0.86 MAPK14 (0.42) POLBKDM5BALDH1A1PTGS2KMT2A
SCHEMBL9753408 0.86 POLB (0.39) POLBKDM5BALDH1A1PTGS2MAPK14
SCHEMBL9752970 0.84 KDM5B (0.34) POLBKDM5BALDH1A1PTGS2KMT2A
SCHEMBL9753314 0.84 KDM5B (0.34) POLBKDM5BALDH1A1PTGS2KMT2A
SCHEMBL9753644 0.84 PTGS2 (0.36) POLBKDM5BALDH1A1PTGS2KMT2A
SCHEMBL9753345 0.82 PTGS2 (0.33) POLBKDM5BALDH1A1PTGS2KMT2A

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