SCHEMBL9760048

SCHEMBL9760048

CCN(c1ccc(O)cc1[N+](=O)[O-])N(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 4/20 0.47
ALDH3A1 P30838 2/20 0.44
ALDH1A1 P00352 5/20 0.42
MAPT P10636 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 3/20 0.42
HTT P42858 3/20 0.40
MAPK1 P28482 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
BACE1 P56817 1/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
TP53 P04637 1/20 0.38
VCAM1 P19320 1/20 0.37
GLA P06280 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
SCHEMBL9760587 0.83 ALDH1A1 (0.48) HCAR3ALDH3A1ALDH1A1MAPTNPSR1
SCHEMBL182012 0.81 HCAR3 (0.49) HCAR3ALDH3A1ALDH1A1MAPTNPSR1
SCHEMBL15049708 0.80 HCAR3 (0.63) HCAR3ALDH1A1MAPTNPSR1TDP1
SCHEMBL688642 0.76 HCAR3 (0.51) HCAR3ALDH3A1ALDH1A1MAPTNPSR1
SCHEMBL9281293 0.72 PDK1 (0.55) ALDH1A1TDP1HTTBACE1ESR1
SCHEMBL6844406 0.72 HCAR3 (0.46) HCAR3ALDH3A1ALDH1A1MAPTNPSR1
SCHEMBL27657643 0.71 HCAR3 (0.44) HCAR3ALDH3A1ALDH1A1MAPTNPSR1
SCHEMBL11323727 0.70 HCAR3 (0.50) HCAR3ALDH1A1MAPTNPSR1TDP1
SCHEMBL10783796 0.70 ALDH1A1 (0.46) ALDH1A1MAPK1MEN1KMT2ABACE1
SCHEMBL5821559 0.70 HCAR3 (0.48) HCAR3ALDH3A1ALDH1A1MAPTNPSR1

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
US-5026401-A Hair dyes L'OREAL (FR) 1991-06-25 US disclosed