SCHEMBL14896151

SCHEMBL14896151

CCN(O)c1cc(N(O)CC)c([N+](=O)[O-])cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 1/20 0.44
VCAM1 P19320 7/20 0.42
HCAR3 P49019 3/20 0.42
ALDH3A1 P30838 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
GPR35 Q9HC97 1/20 0.37
PGK1 P00558 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPK1 P28482 2/20 0.36
TSHR P16473 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL1677897 0.83 ALDH1A1 (0.46) ALDH1A1KDM4EVCAM1HCAR3SMN1; SMN2
SCHEMBL11645894 0.76 HCAR3 (0.41) ALDH1A1KDM4EHCAR3ALDH3A1SMN1; SMN2
SCHEMBL182012 0.74 HCAR3 (0.49) ALDH1A1KDM4EHCAR3ALDH3A1SMN1; SMN2
SCHEMBL7041286 0.74 TSHR (0.53) ALDH1A1KDM4EHCAR3ALDH3A1SMN1; SMN2
SCHEMBL1886680 0.73 ALDH1A1 (0.51) ALDH1A1KDM4EHCAR3ALDH3A1SMN1; SMN2
SCHEMBL3655437 0.71 ALDH1A1 (0.46) ALDH1A1HCAR3SMN1; SMN2GPR35MEN1
SCHEMBL11271182 0.71 POLB (0.52) ALDH1A1KDM4EHCAR3ALDH3A1SMN1; SMN2
SCHEMBL15534710 0.71 ALDH1A1 (0.49) ALDH1A1KDM4EVCAM1HCAR3ALDH3A1
SCHEMBL1455684 0.70 MAPK1 (0.49) ALDH1A1KDM4EHCAR3GAAHPGD
SCHEMBL4706308 0.70 ALDH1A1 (0.50) ALDH1A1KDM4EVCAM1HCAR3SMN1; SMN2

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-2013061477-A1 HAIR COLORATION BY THERMAL TRANSFER TECHNOLOGY L'OREAL (FR) 2013-05-02 WO disclosed