SCHEMBL6572799

SCHEMBL6572799

CC(=O)Nc1ccc(NC(C)=O)c(CCCl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
TP53 P04637 1/20 0.46
HIF1A Q16665 1/20 0.46
MAPT P10636 4/20 0.44
RAB9A P51151 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 3/20 0.44
KDM4E B2RXH2 2/20 0.44
PABPC1 P11940 1/20 0.44
HTT P42858 2/20 0.43
RORC P51449 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GLA P06280 1/20 0.42
TNNI3 P19429 1/20 0.42
TNNT2 P45379 1/20 0.42
TNNC1 P63316 1/20 0.42
RUNX1 Q01196 1/20 0.42
CBFB Q13951 1/20 0.42

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
SCHEMBL20855963 0.91 RORC (0.44) ALDH1A1TP53HIF1AMAPTRAB9A
SCHEMBL6571935 0.85 MAPT (0.45) ALDH1A1MAPTRAB9AMEN1KMT2A
SCHEMBL20855902 0.83 MAPT (0.43) ALDH1A1MAPTRAB9AMEN1KMT2A
SCHEMBL20855834 0.79 RAB9A (0.40) ALDH1A1MAPTRAB9AMEN1KMT2A
SCHEMBL20314060 0.78 TDP1 (0.44) ALDH1A1MAPTRAB9AMEN1KMT2A
SCHEMBL18622117 0.77 ALDH1A1 (0.49) ALDH1A1TP53HIF1AMAPTRAB9A
SCHEMBL7393223 0.74 ALDH1A1 (0.58) ALDH1A1TP53HIF1AMAPTRAB9A
SCHEMBL3786387 0.74 CA1 (0.58) ALDH1A1MAPTRAB9AMEN1KMT2A
SCHEMBL9686414 0.73 SMN1; SMN2 (0.51) ALDH1A1TP53HIF1AMAPTRAB9A
SCHEMBL1443707 0.73 ALDH1A1 (0.39) ALDH1A1TP53HIF1AMAPTRAB9A

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
EP-0928289-B1 NOVEL CATIONIC OXIDATION BASES, THEIR USE FOR OXIDATION DYEING OF KERATIN FIBRES, DYEING COMPOSITIONS AND DYEING METHODS OREAL (FR) 2004-09-29 EP disclosed
US-6638321-B1 Oxidation color dyes for hair from aniline compounds L'OREAL (FR) 2003-10-28 US disclosed
EP-0928289-A1 NOVEL CATIONIC OXIDATION BASES, THEIR USE FOR OXIDATION DYEING OF KERATIN FIBRES, DYEING COMPOSITIONS AND DYEING METHODS L'OREAL (FR) 1999-07-14 EP disclosed
WO-1999003836-A1 NOVEL CATIONIC OXIDATION BASES, THEIR USE FOR OXIDATION DYEING OF KERATIN FIBRES, DYEING COMPOSITIONS AND DYEING METHODS L'OREAL (FR) 1999-01-28 WO disclosed