SCHEMBL28059778

SCHEMBL28059778

NCc1ccc(N)cc1.NCc1cccc(N)c1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.69
LOXL2 Q9Y4K0 3/20 0.68
MAOB P27338 6/20 0.54
MAOA P21397 4/20 0.54
PNMT P11086 1/20 0.50
ENPP2 Q13822 1/20 0.50
CYP3A4 P08684 2/20 0.48
CASP1 P29466 1/20 0.48
RECQL P46063 1/20 0.48
GFER P55789 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TAAR1 Q96RJ0 1/20 0.43

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
SCHEMBL29191325 0.98 CYP19A1 (0.65) CYP19A1LOXL2MAOBMAOAPNMT
SCHEMBL29498392 0.93
SCHEMBL79460 0.93
SCHEMBL29267773 0.93 MAOB (0.60) CYP19A1LOXL2MAOBMAOAPNMT
Hydrochloric Acid SCHEMBL11442203 0.91 MAOB (0.61) CYP19A1LOXL2MAOBMAOAPNMT
Hydrochloric Acid SCHEMBL7670858 0.91 MAOB (0.61) CYP19A1LOXL2MAOBMAOAPNMT
Benzylamine SCHEMBL28139419 0.86 LOXL2 (0.64) CYP19A1LOXL2MAOBMAOAPNMT
4,4'-Methylenedianiline SCHEMBL8079886 0.84 LOXL2 (0.65) CYP19A1LOXL2MAOBMAOAPNMT
SCHEMBL20999343 0.83 LOXL2 (0.72) CYP19A1LOXL2MAOBMAOAPNMT
Bicarbonate SCHEMBL10634538 0.83 MAOA (0.55) CYP19A1LOXL2MAOBMAOAPNMT

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
CN-103361082-B Crystal aligning agent, liquid crystal orienting film, liquid crystal display cells, polymer and compound JSR株式会社 2016-08-03 CN disclosed
CN-105733610-A COMPOSITION CONTAINING POLYAMIDE ACID POLYMER, LIQUID CRYSTAL ALIGNING AGENT, LIQUID CRYSTAL ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY DEVICE JSR株式会社 2016-07-06 CN disclosed