SCHEMBL11420105

SCHEMBL11420105

CNc1ccc(N)cc1Cl.Cc1cccc(C)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.47
ALDH1A1 P00352 4/20 0.45
MAPT P10636 3/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
HSD17B10 Q99714 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALOX15 P16050 2/20 0.44
GAA P10253 2/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
PLA2G7 Q13093 1/20 0.39
TSHR P16473 3/20 0.39
CASP1 P29466 2/20 0.39
PDE10A Q9Y233 1/20 0.39
GFER P55789 1/20 0.38
THRB P10828 2/20 0.38

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
SCHEMBL3790110 0.82 CYP3A4 (0.54) CYP3A4ALDH1A1MAPTMEN1KMT2A
Sulfuric Acid SCHEMBL11089366 0.76 ALDH1A1 (0.61) CYP3A4ALDH1A1MAPTMEN1KMT2A
SCHEMBL11508894 0.75 ALDH1A1 (0.57) CYP3A4ALDH1A1MAPTMEN1KMT2A
Resorcinol SCHEMBL11793128 0.73 ALDH1A1 (0.48) CYP3A4ALDH1A1MAPTHSD17B10ALOX15
SCHEMBL3110533 0.70 ALDH1A1 (0.54) CYP3A4ALDH1A1MAPTMEN1KMT2A
SCHEMBL31621883 0.70 ALDH1A1 (0.54) CYP3A4ALDH1A1MAPTMEN1KMT2A
Dimethylamine SCHEMBL11645329 0.70 ALDH1A1 (0.82) CYP3A4ALDH1A1MAPTMEN1KMT2A
SCHEMBL3790150 0.69 CYP3A4 (0.52) CYP3A4ALDH1A1MAPTMEN1KMT2A
SCHEMBL20460562 0.69 CASP1 (0.52) CYP3A4ALDH1A1MAPTMEN1KMT2A
SCHEMBL27391789 0.69 HSD17B10 (0.52) CYP3A4ALDH1A1HSD17B10GAACA1

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-4233241-A LEUCO INDOANILINE DYES FOR HAIR L'OREAL (FR) 1980-11-11 US disclosed
US-4008043-A Diphenylamines for dyeing keratinic fibers L'OREAL (FR) 1977-02-15 US disclosed