SCHEMBL27802181

SCHEMBL27802181

NCc1cccc(-c2[c]c3ccccc3cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.41
TAAR1 Q96RJ0 3/20 0.40
PNMT P11086 1/20 0.38
ENPP2 Q13822 1/20 0.38
CFD P00746 5/20 0.38
CDK8 P49336 1/20 0.38
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
KARS1 Q15046 1/20 0.36
CSNK2A1 P68400 2/20 0.36
PLG P00747 1/20 0.35
PLAU P00749 1/20 0.35
F11 P03951 1/20 0.35
KLKB1 P03952 1/20 0.35
F7 P08709 1/20 0.35
TPSB2 P20231 1/20 0.35
AGXT P21549 1/20 0.34
ASIC3 Q9UHC3 1/20 0.34

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
SCHEMBL2724733 0.86 CYP1A2 (0.44)
SCHEMBL27683162 0.85 TAAR1 (0.48) LOXL2TAAR1PLGASIC3
SCHEMBL27822873 0.82 PNMT (0.38) LOXL2TAAR1PNMTENPP2CFD
SCHEMBL27822810 0.82 PNMT (0.38) LOXL2TAAR1PNMTENPP2CFD
SCHEMBL11516832 0.80 MAOA (0.47)
SCHEMBL3149855 0.80 MAOA (0.36) TAAR1
SCHEMBL5198605 0.77 TAAR1 (0.40) TAAR1
SCHEMBL4156055 0.77 CYP2A6 (0.39)
SCHEMBL79020 0.77 ALDH1A1 (0.35)
SCHEMBL1719526 0.75 GSTP1 (0.44)

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-101977883-A Process for production of 2-hydroxyaryl aldehyde compound NISSAN CHEMICAL IND LTD 2011-02-16 CN disclosed