SCHEMBL27673152

SCHEMBL27673152

Nc1ccc2c(c1-c1ccccc1O)c1ccccc1n2CCO

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 13/20 0.42
CHEK1 O14757 10/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
ATM Q13315 1/20 0.42
KDR P35968 1/20 0.38
MAP3K11 Q16584 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CDK1 P06493 4/20 0.36
CCNB1 P14635 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 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
SCHEMBL3874408 0.81 MAPT (0.48) WEE1CHEK1POLBMAPTATM
SCHEMBL3881172 0.79 MAPT (0.49) WEE1CHEK1POLBMAPTATM
SCHEMBL3877422 0.78 MAPT (0.45) WEE1CHEK1POLBMAPTATM
SCHEMBL3873857 0.77 MEN1 (0.46) WEE1POLBMAPTATMMEN1
SCHEMBL3877435 0.76 MEN1 (0.45) WEE1CHEK1POLBMAPTATM
SCHEMBL3878991 0.75 POLB (0.47) WEE1CHEK1POLBMAPTATM
SCHEMBL3878062 0.72 POLB (0.43) POLBMAPTATMKDRMAP3K11
SCHEMBL3876445 0.71 MAPT (0.47) WEE1CHEK1POLBMAPTATM
SCHEMBL3880601 0.71 POLB (0.44) WEE1CHEK1POLBMAPTATM
SCHEMBL24637575 0.70 POLB (0.48) WEE1POLBMAPTATMMEN1

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
CN-1937994-A Keratin dyeing compounds, keratin dyeing compositions containing them and their use PROCTER & GAMBLE (US) 2007-03-28 CN disclosed