SCHEMBL9974721

SCHEMBL9974721

CN(C)CCNc1ncc(N)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 3/20 0.37
BCHE P06276 2/20 0.37
ACHE P22303 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
CYP3A4 P08684 2/20 0.37
HRH3 Q9Y5N1 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37

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
SCHEMBL1980048 0.85 ALDH1A1 (0.51) ALDH1A1NPSR1L3MBTL1SMN1; SMN2MEN1
SCHEMBL26590280 0.84 ALDH1A1 (0.47) ALDH1A1NPSR1L3MBTL1SMN1; SMN2MEN1
SCHEMBL11236993 0.79 ALDH1A1 (0.45) ALDH1A1NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL17677097 0.78 HRH3 (0.43) RAB9AHRH3CYP2C19POLBATAD2
SCHEMBL3999400 0.78 ALDH1A1 (0.45) ALDH1A1NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL26590281 0.76 SMN1; SMN2 (0.46) ALDH1A1NPSR1L3MBTL1SMN1; SMN2MEN1
SCHEMBL29969782 0.76 SMN1; SMN2 (0.46) ALDH1A1NPSR1L3MBTL1SMN1; SMN2MEN1
SCHEMBL9974733 0.75 ALDH1A1 (0.37) ALDH1A1NPSR1L3MBTL1SMN1; SMN2MEN1
SCHEMBL4273218 0.75 NPC1 (0.63) ALDH1A1NPSR1L3MBTL1SMN1; SMN2MEN1
SCHEMBL26640741 0.74 ALDH1A1 (0.48) ALDH1A1NPSR1MEN1KMT2AMAPT

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
WO-2012080289-A2 DYE COMPOSITION COMPRISING AT LEAST FOUR DYE PRECURSORS INCLUDING AT LEAST ONE OXIDATION BASE AND AT LEAST ONE COUPLER L'OREAL (FR) 2012-06-21 WO disclosed