SCHEMBL10537796

SCHEMBL10537796

NCc1ccc(CN)cc1.Nc1ccc(C=Cc2ccc(N)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 2/20 0.71
▸ CYP19A1 P11511 8/20 0.56
▸ MAOA P21397 1/20 0.56
▸ MAOB P27338 1/20 0.56
▸ APP P05067 3/20 0.54
▸ GFER P55789 1/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ NQO2 P16083 1/20 0.44
▸ ABAT P80404 1/20 0.42

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
SCHEMBL12973290 1.00 LOXL2 (0.71) LOXL2CYP19A1MAOAMAOBAPP
SCHEMBL9294667 0.90 HRH3 (0.55) LOXL2CYP19A1MAOAMAOBHRH3
SCHEMBL9294660 0.90 HRH3 (0.55) LOXL2CYP19A1MAOAMAOBHRH3
SCHEMBL28031823 0.90 HRH3 (0.55) LOXL2CYP19A1MAOAMAOBHRH3
SCHEMBL2545537 0.84 LOXL2 (1.00) LOXL2CYP19A1MAOAMAOBGFER
SCHEMBL76433 0.84 — —
4,4'-Methylenedianiline SCHEMBL9401894 0.83 CYP3A4 (0.70) LOXL2CYP19A1MAOAMAOBAPP
4,4'-Methylenedianiline SCHEMBL10487209 0.83 CYP3A4 (0.70) LOXL2CYP19A1MAOAMAOBAPP
Hydrochloric Acid SCHEMBL10796330 0.82 LOXL2 (0.94) LOXL2CYP19A1MAOAMAOBGFER
Hydrochloric Acid SCHEMBL3171444 0.82 LOXL2 (0.94) LOXL2CYP19A1MAOAMAOBGFER

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-4888407-A Imide compound and composition containing the same SUMITOMO CHEMICAL CO., LTD. (JP) 1989-12-19 — — US disclosed
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