SCHEMBL9753408

SCHEMBL9753408

CC(C)c1c(C=O)c(-c2ccc(F)cc2)nn2c(-c3ccccc3)ccc12

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
ALDH1A1 P00352 1/20 0.37
HMGCR P04035 2/20 0.34
KDM5B Q9UGL1 1/20 0.34
MAPK14 Q16539 1/20 0.33
MAOB P27338 1/20 0.33
AKT1 P31749 1/20 0.32
AKT2 P31751 1/20 0.32
PTGS2 P35354 1/20 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
SCHEMBL9753490 0.89 POLB (0.34) POLBHMGCRKDM5BPTGS2
SCHEMBL9753491 0.89 POLB (0.34) POLBHMGCRKDM5BPTGS2
SCHEMBL9753416 0.86 POLB (0.37) POLBALDH1A1HMGCRKDM5BMAPK14
SCHEMBL9752928 0.83 MAPK14 (0.43) POLBALDH1A1KDM5BMAPK14PTGS2
SCHEMBL9753119 0.82 PTGS2 (0.36) POLBALDH1A1KDM5BPTGS2
SCHEMBL9753114 0.82 MAPK14 (0.42) POLBALDH1A1KDM5BMAPK14PTGS2
SCHEMBL9752927 0.82 PTGER1 (0.41) ALDH1A1HMGCRAKT1AKT2
SCHEMBL9753314 0.81 KDM5B (0.34) POLBALDH1A1HMGCRKDM5BMAPK14
SCHEMBL9752970 0.81 KDM5B (0.34) POLBALDH1A1KDM5BMAPK14PTGS2
SCHEMBL9753644 0.81 PTGS2 (0.36) POLBALDH1A1HMGCRKDM5BMAPK14

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