SCHEMBL11814224

SCHEMBL11814224

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.44
▸ CYP2A6 P11509 4/20 0.42
▸ ALDH5A1 P51649 2/20 0.42
▸ ABAT P80404 2/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ APP P05067 1/20 0.39
▸ VCAM1 P19320 1/20 0.38
▸ TYR P14679 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ CYP2A13 Q16696 1/20 0.38
▸ FBP1 P09467 1/20 0.38
▸ KIF11 P52732 1/20 0.36
▸ ALDH3A1 P30838 2/20 0.36
▸ ALDH1A3 P47895 1/20 0.35

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
SCHEMBL28893953 0.79 ALDH1A1 (0.35) ALDH1A1HSD17B10APP
SCHEMBL1157 0.78 APP (0.61) ALDH1A1ALDH5A1ABATHSD17B10APP
SCHEMBL1580201 0.77 ALDH1A1 (0.56) ALDH1A1HSD17B10APPFBP1
SCHEMBL28981615 0.76 APP (0.59) ALDH1A1HSD17B10APPFBP1
Ammonia Solution, Strong SCHEMBL28564961 0.76 APP (0.59) ALDH1A1ALDH5A1ABATHSD17B10APP
Hydrochloric Acid SCHEMBL29016137 0.76 APP (0.59) ALDH1A1ALDH5A1ABATHSD17B10APP
Hydrazine SCHEMBL9322622 0.74 APP (0.57) ALDH1A1HSD17B10APPFBP1
SCHEMBL5514209 0.73 APP (0.67) ALDH1A1APPFBP1
SCHEMBL5514207 0.73 APP (0.67) ALDH1A1APPFBP1
SCHEMBL31171 0.72 CYP2A6 (0.69) ALDH1A1CYP2A6ALDH5A1ABATHSD17B10

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-3966678-A Maleic anhydride-polyaldimine prepolymers RHONE-POULENC S.A. (FR) 1976-06-29 — — US disclosed
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