SCHEMBL20123086

SCHEMBL20123086

Cc1ccc(-c2ccc3oc4c(c3c2)C=CCC4)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 2/20 0.36
CSNK2B P67870 2/20 0.36
CSNK2A1 P68400 2/20 0.36
MAOB P27338 3/20 0.35
TNKS O95271 1/20 0.35
PARP1 P09874 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
PLA2G2A P14555 2/20 0.34
PLA2G4A P47712 2/20 0.34
HTR6 P50406 1/20 0.34
ALDH1A1 P00352 4/20 0.33
MAPT P10636 4/20 0.33
CDK9 P50750 1/20 0.33
DYRK1A Q13627 1/20 0.33
DYRK2 Q92630 1/20 0.33
KCNA5 P22460 1/20 0.32
KCNH2 Q12809 1/20 0.32
TP53 P04637 4/20 0.32
KDM4E B2RXH2 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
SCHEMBL12850764 0.90 CDK9 (0.35) CSNK2A2CSNK2BCSNK2A1PLA2G2APLA2G4A
SCHEMBL21913532 0.88 MAPT (0.43) MAOBPLA2G2APLA2G4AALDH1A1MAPT
SCHEMBL13447391 0.86 TNKS (0.35) MAOBTNKSPLA2G2APLA2G4AMAPT
SCHEMBL21336983 0.83 PLA2G2A (0.40) MAOBTNKSPARP1TNKS2PARP2
SCHEMBL26550870 0.81 PGR (0.35) PLA2G2APLA2G4A
SCHEMBL15889121 0.81 MAPT (0.40) PLA2G2APLA2G4AALDH1A1MAPTTP53
SCHEMBL21426315 0.80 PLA2G2A (0.44) PLA2G2APLA2G4AALDH1A1MAPTTP53
SCHEMBL13447310 0.80 GABRP (0.43) CSNK2A2CSNK2BCSNK2A1MAOBPLA2G2A
SCHEMBL14052191 0.80 MAOA (0.39) PLA2G2APLA2G4AALDH1A1MAPTKDM4E
SCHEMBL10072123 0.79 PLA2G2A (0.44) TNKSPARP1TNKS2PLA2G2APLA2G4A

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
EP-3033405-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2018-05-09 EP disclosed