SCHEMBL27673172

SCHEMBL27673172

Cc1cc(CNCCO)c2oc3ccccc3c2c1N

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.37
ALDH1A1 P00352 4/20 0.35
VSIR Q9H7M9 3/20 0.35
MAPT P10636 2/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
KDM4E B2RXH2 4/20 0.34
MAOA P21397 2/20 0.34
AHR P35869 1/20 0.34
POLB P06746 1/20 0.34
MOK Q9UQ07 1/20 0.34
GAA P10253 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MAPK1 P28482 2/20 0.33
USP2 O75604 1/20 0.33
MAOB P27338 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
SCHEMBL3882591 0.81 RECQL (0.50) RECQLALDH1A1MAPTKDM4EMAOA
SCHEMBL3878088 0.76 ALDH1A1 (0.52) RECQLALDH1A1MAPTKDM4EGAA
SCHEMBL3874539 0.76 RECQL (0.50) RECQLALDH1A1MAPTKDM4EMAOA
SCHEMBL27653119 0.75 ALDH1A1 (0.45) ALDH1A1MAPTKDM4EPOLBHPGD
SCHEMBL3881350 0.74 MAOA (0.48) RECQLALDH1A1MAPTKDM4EMAOA
SCHEMBL3882623 0.73 NQO1 (0.43) ALDH1A1MAPTKDM4EMAOAAHR
SCHEMBL3878151 0.73 KDM4E (0.42) ALDH1A1MAPTKDM4EMAOAAHR
SCHEMBL27653219 0.73 KDM4E (0.42) ALDH1A1MAPTKDM4EPOLBMOK
SCHEMBL3875285 0.72 PRKDC (0.38) RECQLALDH1A1MAPTKDM4EMAOA
SCHEMBL27673130 0.71 ALDH1A1 (0.44) ALDH1A1MAPTKDM4EPOLBHPGD

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