SCHEMBL28210267

SCHEMBL28210267

CCc1ccc(N(N)c2ccc(CN)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.46
HRH3 Q9Y5N1 1/20 0.42
LOXL2 Q9Y4K0 5/20 0.41
PSIP1 O75475 1/20 0.41
CYP2A6 P11509 1/20 0.40
ABAT P80404 1/20 0.39
CA2 P00918 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TP53 P04637 1/20 0.37
PLAU P00749 1/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
LPL P06858 1/20 0.35
LIPG Q9Y5X9 1/20 0.35

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
Hydrochloric Acid SCHEMBL11271956 0.89 TAAR1 (0.46) TAAR1CYP2A6CA2SMN1; SMN2TP53
SCHEMBL240341 0.83 TAAR1 (0.62) TAAR1HRH3LOXL2PSIP1CYP2A6
SCHEMBL28210202 0.78 IDO1 (0.46) HRH3LOXL2ABATSMN1; SMN2
SCHEMBL28210780 0.78 EPHX1 (0.41) TAAR1CYP2A6
SCHEMBL22536884 0.77 TAAR1 (0.68) TAAR1HRH3LOXL2PSIP1CYP2A6
SCHEMBL13814906 0.77 HRH3 (0.74) TAAR1HRH3LOXL2PSIP1CYP2A6
SCHEMBL26030924 0.77 TAAR1 (0.54) TAAR1HRH3LOXL2PSIP1CYP2A6
SCHEMBL28210210 0.76 SIGMAR1 (0.49) LOXL2NOS1NOS2
SCHEMBL28858482 0.76 CSNK2A2 (0.42) TAAR1HRH3LOXL2PSIP1ABAT
SCHEMBL27812178 0.76 LOXL2 (0.52) TAAR1HRH3LOXL2PSIP1CYP2A6

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-105985464-B Solid catalytic component for olefin polymerization and catalyst thereof 中国石油天然气股份有限公司 2018-04-03 CN disclosed