SCHEMBL11495396

SCHEMBL11495396

Cc1cc(Nc2ccc(N(CCO)CCO)cc2)c(N)cc1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.36
ALDH1A1 P00352 5/20 0.36
THRB P10828 2/20 0.36
RECQL P46063 2/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
HIF1A Q16665 1/20 0.36
MAPT P10636 6/20 0.35
GAA P10253 5/20 0.35
KDM4E B2RXH2 4/20 0.35
NPC1 O15118 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GFER P55789 2/20 0.35
EGFR P00533 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
PKM P14618 1/20 0.34
HTT P42858 1/20 0.34
MCL1 Q07820 1/20 0.34
LMNA P02545 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
SCHEMBL20288318 0.84 ALDH1A1 (0.37) TDP1ALDH1A1THRBRECQLALOX15
SCHEMBL20285756 0.82 MAPT (0.42) TDP1ALDH1A1THRBRECQLCYP3A4
SCHEMBL4003918 0.82 ALDH1A1 (0.43) TDP1ALDH1A1THRBRECQLMAPT
SCHEMBL11330823 0.82 ALDH1A1 (0.41) TDP1ALDH1A1THRBRECQLCYP3A4
SCHEMBL11491153 0.82 GAA (0.38) TDP1ALDH1A1THRBRECQLMAPT
SCHEMBL11491831 0.82 KMT2A (0.36) TDP1ALDH1A1THRBRECQLCYP3A4
SCHEMBL11491468 0.80 ESR1 (0.37) TDP1ALDH1A1CYP3A4MAPTNPC1
SCHEMBL11319263 0.80 ALDH1A1 (0.34) TDP1ALDH1A1THRBRECQLCYP3A4
SCHEMBL10826403 0.80 EGFR (0.34) TDP1ALDH1A1THRBRECQLMAPT
SCHEMBL21901569 0.80 KDM4E (0.45) TDP1ALDH1A1THRBRECQLCYP3A4

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 2 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-4170452-A Dye composition containing diphenylamine and polyhydroxybenzene L'OREAL (FR) 1979-10-09 US disclosed