SCHEMBL30239452

SCHEMBL30239452

NCc1ccc(N2CCN=[13CH]2)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 6/20 0.39
HRH3 Q9Y5N1 1/20 0.37
ABAT P80404 1/20 0.34
PRMT6 Q96LA8 2/20 0.33
CA2 P00918 1/20 0.33
NCF1 P14598 1/20 0.33
CHKA P35790 1/20 0.33
CYP2A6 P11509 1/20 0.33
ASIC3 Q9UHC3 1/20 0.33
ADRB2 P07550 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
CYP1A2 P05177 1/20 0.31
AKT1 P31749 1/20 0.31
F10 P00742 1/20 0.31

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
SCHEMBL28945126 1.00 LOXL2 (0.39) LOXL2HRH3ABATPRMT6CA2
SCHEMBL30239523 0.84 PRMT6 (0.44) LOXL2PRMT6NCF1F10
SCHEMBL30239031 0.84 PRMT6 (0.44) LOXL2PRMT6NCF1F10
SCHEMBL28945107 0.84 PRMT6 (0.44) LOXL2PRMT6NCF1F10
SCHEMBL14536064 0.81 NPC1 (0.41) CYP1A2
SCHEMBL8340938 0.77 ESR1 (0.40)
SCHEMBL11682002 0.76 QPCT (0.50) CA2
SCHEMBL6272216 0.74 SIGMAR1 (0.41) CA2
SCHEMBL105023 0.74 SIGMAR1 (0.41) CA2
SCHEMBL23099449 0.74 PRMT6 (0.37) LOXL2HRH3ABATPRMT6CA2

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-110234630-B Phenylimidazolines having aminomethyl groups Compound or salt thereof and process for producing the same 三菱瓦斯化学株式会社 2023-02-03 CN disclosed