SCHEMBL9974733

SCHEMBL9974733

CN(C)CCN(C)c1ncc(N)cc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.37
CYP3A4 P08684 2/20 0.37
TSHR P16473 2/20 0.37
RECQL P46063 1/20 0.37
KDM4E B2RXH2 2/20 0.37
TDP1 Q9NUW8 3/20 0.36
ALOX15 P16050 2/20 0.36
HRH3 Q9Y5N1 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
LMNA P02545 3/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 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
SCHEMBL1979584 0.84 ALDH1A1 (0.47) ALDH1A1KDM4ETDP1NPSR1GAA
SCHEMBL29970031 0.83 ALDH1A1 (0.37) ALDH1A1KDM4ENPSR1GAASMN1; SMN2
SCHEMBL17677109 0.77 HRH3 (0.41) HRH3
SCHEMBL29969353 0.75 ALDH1A1 (0.35) ALDH1A1KDM4ENPSR1GAASMN1; SMN2
SCHEMBL9974721 0.75 ALDH1A1 (0.47) ALDH1A1CYP3A4TSHRRECQLHRH3
SCHEMBL14366682 0.74 ALDH1A1 (0.49) ALDH1A1RECQLKDM4ETDP1ALOX15
SCHEMBL30221556 0.74 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHRRECQLKDM4E
SCHEMBL17269972 0.74 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHRRECQLKDM4E
SCHEMBL17339137 0.73 ALDH1A1 (0.34) ALDH1A1RECQLKDM4ETDP1HRH3
SCHEMBL15127637 0.72 ALDH1A1 (0.47) ALDH1A1CYP3A4TSHRKDM4ETDP1

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