SCHEMBL9752989

SCHEMBL9752989

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

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 1/20 0.34
PTGS2 P35354 6/20 0.34
POLB P06746 1/20 0.32
PTGS1 P23219 1/20 0.32
HMGCR P04035 2/20 0.31
MAPK14 Q16539 1/20 0.31
KCNK3 O14649 3/20 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
SCHEMBL9752990 1.00 KDM5B (0.34) KDM5BPTGS2POLBPTGS1HMGCR
SCHEMBL9753682 0.89 MAPK14 (0.40) KDM5BPTGS2POLBPTGS1MAPK14
SCHEMBL9753686 0.89 MAPK14 (0.40) KDM5BPTGS2POLBPTGS1MAPK14
SCHEMBL9753416 0.88 POLB (0.37) KDM5BPTGS2POLBPTGS1HMGCR
SCHEMBL9753466 0.88 PTGS2 (0.34) KDM5BPTGS2PTGS1MAPK14KCNK3
SCHEMBL9753228 0.88 MAPK14 (0.39) KDM5BPTGS2PTGS1MAPK14
SCHEMBL9753226 0.88 MAPK14 (0.39) KDM5BPTGS2PTGS1MAPK14
SCHEMBL9753463 0.88 PTGS2 (0.34) KDM5BPTGS2PTGS1MAPK14KCNK3
SCHEMBL9753490 0.87 POLB (0.34) KDM5BPTGS2POLBHMGCR
SCHEMBL9753491 0.87 POLB (0.34) KDM5BPTGS2POLBHMGCR

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