SCHEMBL27673162

SCHEMBL27673162

Nc1cc(-c2ccccc2O)c2c3ccccc3n(CCO)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
POLB P06746 1/20 0.40
ATM Q13315 1/20 0.40
WEE1 P30291 4/20 0.38
CHEK1 O14757 3/20 0.38
KDR P35968 1/20 0.38
MAP3K11 Q16584 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 5/20 0.35
PTGES O14684 1/20 0.35
ALDH1A1 P00352 4/20 0.34
HPGD P15428 2/20 0.34
HDAC6 Q9UBN7 1/20 0.34
RECQL P46063 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
HBB P68871 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL3876445 0.85 MAPT (0.47) MAPTPOLBATMWEE1CHEK1
SCHEMBL27673158 0.85 WEE1 (0.45) MAPTPOLBATMWEE1CHEK1
SCHEMBL27653046 0.84 MEN1 (0.42) MAPTPOLBATMWEE1CHEK1
SCHEMBL27653147 0.82 KDM4E (0.40) MAPTPOLBATMKDRMAP3K11
SCHEMBL27653212 0.81 MAPT (0.46) MAPTPOLBMEN1KMT2AKDM4E
SCHEMBL27653081 0.81 WEE1 (0.42) MAPTPOLBATMWEE1CHEK1
SCHEMBL3884399 0.81 MAPT (0.45) MAPTPOLBATMWEE1CHEK1
SCHEMBL27673138 0.81 MAPT (0.40) MAPTPOLBATMWEE1CHEK1
SCHEMBL27673089 0.78 MAPT (0.46) MAPTPOLBATMWEE1CHEK1
SCHEMBL27673132 0.78 MAPT (0.46) MAPTPOLBATMWEE1CHEK1

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