SCHEMBL9250076

SCHEMBL9250076

C=CC/C=C/c1ccc(N)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.50
CYP19A1 P11511 11/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
NQO2 P16083 2/20 0.38
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
GFER P55789 1/20 0.33
NPC1 O15118 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
ATM Q13315 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
IDO1 P14902 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
SCHEMBL9250081 1.00 APP (0.50) APPCYP19A1MAOAMAOBNQO2
SCHEMBL38655029 0.88 ALDH1A1 (0.40) APPNPC1RAB9AIDO1
SCHEMBL30483378 0.85 APP (0.59) APPCYP19A1MAOAMAOBNQO2
SCHEMBL9247763 0.77 APP (0.50) APPCYP19A1MAOAMAOBNQO2
SCHEMBL29135539 0.77 AHR (0.46) MAOB
SCHEMBL9247768 0.77 APP (0.50) APPCYP19A1MAOAMAOBNQO2
SCHEMBL30681 0.76 IDO1 (0.50) MAOBMEN1MAPTKMT2ANPC1
SCHEMBL8527959 0.76 APP (0.54) APPCYP19A1MAOAMAOBNQO2
SCHEMBL12426096 0.76 APP (0.54) APPCYP19A1MAOAMAOBNQO2
Benzene SCHEMBL28645862 0.76 IDO1 (0.50) MAOBMEN1MAPTKMT2ANPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0435418-B1 A dispersant/antioxidant viscosity index improving lubricant additive TEXACO DEVELOPMENT CORP (US) 1995-01-04 EP disclosed
US-4941985-A AN ALKYL METHACRYLATE POLYMER, AN AROMATIC NITROSO COMPOUND TEXACO INC. (US) 1990-07-17 US disclosed