SCHEMBL11319263

SCHEMBL11319263

Cc1cc(Nc2ccc(N(CCO)CCO)cc2)c(N(C)C(N)=O)cc1O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
ATM Q13315 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
EGFR P00533 1/20 0.32
KMT2A Q03164 3/20 0.32
MAPT P10636 2/20 0.32
BACE1 P56817 2/20 0.32
MEN1 O00255 2/20 0.32
GAA P10253 2/20 0.32
USP8 P40818 1/20 0.32
KDM4E B2RXH2 1/20 0.32
THRB P10828 1/20 0.32
RECQL P46063 1/20 0.32
KLKB1 P03952 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
ROCK2 O75116 3/20 0.31
LIMK1 P53667 3/20 0.31

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
SCHEMBL11419540 0.89 ALDH1A1 (0.36) ALDH1A1ATMEGFRKMT2AMAPT
SCHEMBL11491153 0.82 GAA (0.38) ALDH1A1ATMSIRT2EGFRKMT2A
SCHEMBL10826403 0.80 EGFR (0.34) ALDH1A1ATMEGFRKMT2AMAPT
SCHEMBL11495396 0.80 TDP1 (0.36) ALDH1A1ATMEGFRKMT2AMAPT
SCHEMBL11491468 0.78 ESR1 (0.37) ALDH1A1SIRT2EGFRKMT2AMAPT
SCHEMBL4003918 0.75 ALDH1A1 (0.43) ALDH1A1EGFRKMT2AMAPTBACE1
SCHEMBL11491831 0.72 KMT2A (0.36) ALDH1A1EGFRKMT2AMAPTBACE1
SCHEMBL1154122 0.71 MAPT (0.38) ALDH1A1ATMEGFRKMT2AMAPT
SCHEMBL1146263 0.70 EGFR (0.38) ALDH1A1ATMEGFRKMT2AMAPT
SCHEMBL11491155 0.70 BACE1 (0.34) ALDH1A1SIRT2EGFRKMT2AMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4222958-A HAIR DYES L'OREAL (FR) 1980-09-16 US claimed
US-4295848-A Composition for hair dyeing which contains a para base and an ortho base L'OREAL (FR) 1981-10-20 US disclosed
US-4268264-A ORTHO PRECURSORS SELECTED FROM AROMATIC DIAMINES, AMINOPHENOL, DIPHENOL, AND PHENYLENEDIAMINE L'OREAL (FR) 1981-05-19 US disclosed