SCHEMBL4826787

SCHEMBL4826787

Cc1cc(N)ccc1NCCC(=O)O.Cc1cc(N)ccc1NCCC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
APEX1 P27695 1/20 0.48
RAD52 P43351 1/20 0.46
KMT2A Q03164 2/20 0.45
POLB P06746 2/20 0.45
MEN1 O00255 1/20 0.45
NSD2 O96028 1/20 0.45
BLM P54132 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
ALDH1A1 P00352 4/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
KDM4E B2RXH2 2/20 0.45
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44

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
SCHEMBL4828295 1.00 MAPT (0.51) MAPTCYP1A2CYP2C9CYP2C19APEX1
SCHEMBL6256983 0.91 CYP1A2 (0.49) MAPTCYP1A2CYP2C9CYP2C19APEX1
SCHEMBL4825292 0.88 NQO2 (0.51) MAPTCYP1A2CYP2C9CYP2C19RAD52
SCHEMBL9404784 0.87 ALDH1A1 (0.45) MAPTCYP1A2CYP2C9CYP2C19APEX1
SCHEMBL4827101 0.84 MAPT (0.47) MAPTCYP1A2CYP2C9CYP2C19RAD52
SCHEMBL4824607 0.82 MAPT (0.45) MAPTCYP1A2CYP2C9CYP2C19RAD52
SCHEMBL5930664 0.80 MAPT (0.42) MAPTCYP1A2CYP2C9CYP2C19RAD52
SCHEMBL29392615 0.80 CYP2C19 (0.45) MAPTCYP1A2CYP2C9CYP2C19RAD52
SCHEMBL33660 0.80 CYP2C19 (0.45) MAPTCYP1A2CYP2C9CYP2C19RAD52
SCHEMBL11330558 0.79 MAPT (0.47) MAPTCYP1A2CYP2C9CYP2C19RAD52

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
US-7384432-B2 Secondary para-phenylenediamines having a carboxyl group, dye compositions comprising the same, and dyeing processes using the compositions L'OREAL S.A. (FR) 2008-06-10 US disclosed