SCHEMBL28073237

SCHEMBL28073237

NCc1cccc(CN)c1N

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PNMT P11086 3/20 0.52
DPP4 P27487 2/20 0.44
LOXL2 Q9Y4K0 3/20 0.43
AOC1 P19801 2/20 0.37
AOC3 Q16853 2/20 0.37
HRH3 Q9Y5N1 1/20 0.36
TAAR1 Q96RJ0 3/20 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
SCHEMBL11744835 0.87 PNMT (0.43) PNMTDPP4LOXL2TAAR1
SCHEMBL1352808 0.86 PNMT (0.46) PNMTDPP4LOXL2AOC1AOC3
SCHEMBL25300884 0.82 TAAR1 (0.46) PNMTDPP4LOXL2TAAR1
SCHEMBL14354164 0.82 TAAR1 (0.48) PNMTDPP4LOXL2AOC3TAAR1
SCHEMBL775116 0.82 PNMT (0.67) PNMTDPP4TAAR1
SCHEMBL774587 0.82 CD44 (0.52) PNMTDPP4LOXL2TAAR1
SCHEMBL10985482 0.82 GABRA1 (0.47) PNMTDPP4
Hydrochloric Acid SCHEMBL14354512 0.80 TAAR1 (0.46) PNMTDPP4LOXL2AOC3TAAR1
SCHEMBL3787555 0.77 DPP4 (0.69) PNMTDPP4LOXL2TAAR1
SCHEMBL10949699 0.77 MAOB (0.46) PNMTDPP4

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
CN-105814069-A Iridium complex compound, method for producing same, composition containing iridium complex compound, organic electroluminescent element, display device, and lighting device 三菱化学株式会社 2016-07-27 CN disclosed