SCHEMBL27673109

SCHEMBL27673109

Nc1ccc(CNCCO)c2[nH]c3ccccc3c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TERT O14746 2/20 0.39
MC1R Q01726 3/20 0.37
MC5R P33032 2/20 0.37
MC3R P41968 2/20 0.37
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HPGD P15428 1/20 0.35
EGFR P00533 1/20 0.35
SRC P12931 1/20 0.35
MAPT P10636 2/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35

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
SCHEMBL28759396 0.90 KDM4E (0.45) KDM4EALDH1A1MEN1KMT2ATERT
SCHEMBL3875487 0.78 TERT (0.46) KDM4EALDH1A1MEN1KMT2ATERT
SCHEMBL3880609 0.74 KDM4E (0.49) KDM4EALDH1A1MEN1KMT2ATERT
SCHEMBL3939075 0.73 TERT (0.46) KDM4EALDH1A1MEN1KMT2ATERT
SCHEMBL3873502 0.73 POLB (0.55) ALDH1A1MEN1KMT2APOLBTDP1
SCHEMBL3875023 0.70 POLB (0.37) KDM4EALDH1A1MEN1KMT2ATERT
SCHEMBL2310834 0.69 ALDH1A1 (0.47) KDM4EALDH1A1MEN1KMT2APOLB
SCHEMBL3877146 0.68 KDM4E (0.49) KDM4EALDH1A1MEN1KMT2ATERT
SCHEMBL3886466 0.68 MEN1 (0.38) KDM4EALDH1A1MEN1KMT2ATERT
SCHEMBL3881403 0.67 UTS2R (0.46) MEN1KMT2APOLBTDP1MAPT

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