SCHEMBL11316014

SCHEMBL11316014

CC(=O)NC1=CC(=Nc2ccc(N(C)C)cc2)C=CC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.42
RAB9A P51151 3/20 0.39
MAPT P10636 3/20 0.39
NPC1 O15118 2/20 0.39
MAPK1 P28482 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 3/20 0.37
POLB P06746 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NOS1 P29475 1/20 0.36
HDAC8 Q9BY41 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ADRA2A P08913 2/20 0.33

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
SCHEMBL11425344 0.88 PABPC1 (0.41) PABPC1RAB9AMAPTNPC1MAPK1
SCHEMBL13845511 0.86 ALDH1A1 (0.41) RAB9AMAPTNPC1MAPK1KDM4E
SCHEMBL10000303 0.84 ESRRG (0.33) RAB9AMAPTNPC1KDM4EMEN1
SCHEMBL11330897 0.78 PABPC1 (0.53) PABPC1RAB9AMAPTNPC1MAPK1
SCHEMBL11308089 0.77 PABPC1 (0.48) PABPC1RAB9AMAPTNPC1MAPK1
SCHEMBL13525220 0.77 PABPC1 (0.59) PABPC1RAB9AMAPTNPC1MAPK1
SCHEMBL2680700 0.76 PABPC1 (0.56) PABPC1RAB9AMAPTNPC1MAPK1
SCHEMBL9488788 0.73 PABPC1 (0.47) PABPC1RAB9AMAPTNPC1MAPK1
SCHEMBL13845515 0.72 MAPT (0.36) RAB9AMAPTNPC1MAPK1MEN1
SCHEMBL126305 0.70 PABPC1 (0.60) PABPC1RAB9AMAPTNPC1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4248591-A HAIR DYES L'OREAL (FR) 1981-02-03 US disclosed
US-4221729-A HAIR DYES L'OREAL (FR) 1980-09-09 US disclosed
US-4046786-A HAIR DYES L'OREAL (FR) 1977-09-06 US disclosed
US-3977825-A Indoanilines in keratinic fiber dye cmpositions L'OREAL (FR) 1976-08-31 US disclosed