SCHEMBL28281371

SCHEMBL28281371

NCc1ccc(-c2cccc(-c3ccccc3)c2-c2ccc(CN)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 4/20 0.68
▸ LOXL2 Q9Y4K0 1/20 0.52
▸ HRH3 Q9Y5N1 1/20 0.52
▸ DPP4 P27487 1/20 0.52
▸ CSNK2A1 P68400 2/20 0.52
▸ SGK1 O00141 1/20 0.44
▸ CYP2A6 P11509 1/20 0.44
▸ ADRB2 P07550 1/20 0.44
▸ MAOB P27338 2/20 0.43
▸ LTA4H P09960 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ IDO1 P14902 1/20 0.41
▸ AGXT P21549 1/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ AKT2 P31751 1/20 0.41

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
SCHEMBL28956611 0.94 HRH3 (0.59) TAAR1LOXL2HRH3DPP4CSNK2A1
SCHEMBL5362598 0.89 TAAR1 (0.77) TAAR1LOXL2HRH3DPP4CSNK2A1
SCHEMBL28241230 0.87 TAAR1 (0.57) TAAR1LOXL2HRH3DPP4CSNK2A1
Hydrogen Sulfide SCHEMBL27541593 0.87 TAAR1 (0.74) TAAR1LOXL2HRH3DPP4CSNK2A1
SCHEMBL28089504 0.84 TAAR1 (0.68) TAAR1LOXL2HRH3DPP4CSNK2A1
SCHEMBL27661119 0.83 TAAR1 (0.68) TAAR1LOXL2HRH3DPP4CSNK2A1
SCHEMBL27973599 0.82 LOXL2 (0.52) TAAR1LOXL2DPP4CSNK2A1SGK1
SCHEMBL22202237 0.82 TAAR1 (1.00) TAAR1LOXL2HRH3CSNK2A1CYP2A6
SCHEMBL22291708 0.82 TAAR1 (1.00) TAAR1LOXL2HRH3CSNK2A1CYP2A6
SCHEMBL131842 0.82 TAAR1 (1.00) TAAR1LOXL2HRH3CSNK2A1CYP2A6

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-108011053-B A kind of preparation method of organic electroluminescent display panel 江西沃格光电股份有限公司 2019-11-05 — — CN disclosed
CN-109509842-A Light emitting diode with quantum dots and preparation method thereof, display panel 京东方科技集团股份有限公司 2019-03-22 — — CN disclosed
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