SCHEMBL28126553

SCHEMBL28126553

NCc1cccc(-c2ccc(-c3ccccc3)cc2-c2cccc(CN)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.59
CSNK2A1 P68400 2/20 0.50
LOXL2 Q9Y4K0 1/20 0.50
AGXT P21549 1/20 0.49
CFD P00746 4/20 0.47
HRH3 Q9Y5N1 1/20 0.45
AOC3 Q16853 3/20 0.44
FGFR1 P11362 1/20 0.43
FGFR2 P21802 1/20 0.43
FGFR3 P22607 1/20 0.43
PLG P00747 1/20 0.43
PLAU P00749 1/20 0.43
F11 P03951 1/20 0.43
KLKB1 P03952 1/20 0.43
F7 P08709 1/20 0.43
TPSB2 P20231 1/20 0.43
HTR7 P34969 1/20 0.42
ADAMTS4 O75173 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
SCHEMBL28247640 0.89 TAAR1 (0.74) TAAR1CSNK2A1LOXL2AGXTCFD
SCHEMBL43554 0.87 TAAR1 (0.70) TAAR1CSNK2A1LOXL2AGXTCFD
SCHEMBL29400616 0.87 TAAR1 (0.70) TAAR1CSNK2A1LOXL2AGXTCFD
SCHEMBL27649924 0.85 LOXL2 (0.58) TAAR1CSNK2A1LOXL2AGXTCFD
Bromide SCHEMBL1856525 0.85 TAAR1 (0.67) TAAR1CSNK2A1LOXL2AGXTCFD
Hydrochloric Acid SCHEMBL29793666 0.85 TAAR1 (0.67) TAAR1CSNK2A1LOXL2AGXTCFD
Hydrochloric Acid SCHEMBL1237399 0.85 TAAR1 (0.67) TAAR1CSNK2A1LOXL2AGXTCFD
SCHEMBL27799749 0.85 TAAR1 (0.67) TAAR1CSNK2A1LOXL2AGXTCFD
SCHEMBL3794460 0.82 TAAR1 (0.70) TAAR1LOXL2AGXTCFDHRH3
SCHEMBL17454559 0.81 TAAR1 (0.52) TAAR1CSNK2A1LOXL2AGXTCFD

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-106463627-A Photovoltaic element 东丽株式会社 2017-02-22 CN disclosed