SCHEMBL27673138

SCHEMBL27673138

Nc1c(-c2ccccc2O)ccc2c1c1ccccc1n2CCO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
ATM Q13315 1/20 0.40
WEE1 P30291 5/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 3/20 0.36
CHEK1 O14757 3/20 0.36
KDR P35968 1/20 0.36
MAP3K11 Q16584 1/20 0.35
FABP4 P15090 2/20 0.34
FABP5 Q01469 2/20 0.34
FABP3 P05413 1/20 0.34
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PTGES O14684 1/20 0.33
CASR P41180 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 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
SCHEMBL3877422 0.85 MAPT (0.45) MAPTPOLBATMWEE1MEN1
SCHEMBL3881172 0.80 MAPT (0.49) MAPTPOLBATMWEE1MEN1
SCHEMBL3873857 0.78 MEN1 (0.46) MAPTPOLBATMWEE1MEN1
SCHEMBL3874408 0.76 MAPT (0.48) MAPTPOLBATMWEE1MEN1
SCHEMBL3878991 0.76 POLB (0.47) MAPTPOLBATMWEE1MEN1
SCHEMBL3877435 0.74 MEN1 (0.45) MAPTPOLBATMWEE1MEN1
SCHEMBL3876445 0.72 MAPT (0.47) MAPTPOLBATMWEE1MEN1
SCHEMBL24637575 0.71 POLB (0.48) MAPTPOLBATMWEE1MEN1
SCHEMBL149177 0.71 MEN1 (0.63) MAPTPOLBATMMEN1KMT2A
SCHEMBL30039386 0.71 MEN1 (0.63) MAPTPOLBATMMEN1KMT2A

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