SCHEMBL27673137

SCHEMBL27673137

Nc1c(-c2ccc(O)cc2)ccc2c1c1ccccc1n2CCO

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 10/20 0.44
CHEK1 O14757 7/20 0.43
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
ATM Q13315 1/20 0.40
RET P07949 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.35
SRC P12931 2/20 0.34
ESR1 P03372 2/20 0.34
FABP3 P05413 1/20 0.34
FABP4 P15090 1/20 0.34
FABP5 Q01469 1/20 0.34
ESR2 Q92731 1/20 0.34
KDR P35968 1/20 0.34
MAP3K11 Q16584 1/20 0.33

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
SCHEMBL27673138 0.84 MAPT (0.40) WEE1CHEK1POLBMAPTATM
SCHEMBL27653045 0.83 WEE1 (0.44) WEE1CHEK1POLBMAPTATM
SCHEMBL27673150 0.83 WEE1 (0.47) WEE1CHEK1POLBMAPTATM
SCHEMBL27653101 0.82 RET (0.51) WEE1CHEK1MAPTRETKMT2A
SCHEMBL3877422 0.82 MAPT (0.45) WEE1CHEK1POLBMAPTATM
SCHEMBL27673128 0.82 POLB (0.38) WEE1CHEK1POLBMAPTATM
SCHEMBL27673158 0.81 WEE1 (0.45) WEE1CHEK1POLBMAPTATM
SCHEMBL3881172 0.80 MAPT (0.49) WEE1CHEK1POLBMAPTATM
SCHEMBL27653080 0.78 WEE1 (0.45) WEE1CHEK1POLBMAPTATM
SCHEMBL27673127 0.76 MAPT (0.46) WEE1CHEK1POLBMAPTATM

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