SCHEMBL30469293

SCHEMBL30469293

COc1cc(-c2cccc(N)c2)ccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 5/20 0.49
CNR1 P21554 1/20 0.48
MEN1 O00255 2/20 0.47
PSIP1 O75475 1/20 0.47
AXL P30530 1/20 0.47
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
MAOA P21397 1/20 0.47
LOX P28300 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CDK5 Q00535 1/20 0.46
KMT2A Q03164 1/20 0.46
CDK5R1 Q15078 1/20 0.46
CYP19A1 P11511 1/20 0.45
LRRK2 Q5S007 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
DYRK1A Q13627 1/20 0.44

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
SCHEMBL20557310 1.00 MAP4K4 (0.49) MAP4K4CNR1MEN1PSIP1AXL
SCHEMBL22347554 0.83 CYP3A4 (0.50) MAP4K4MEN1PSIP1AXLMKNK1
SCHEMBL30626327 0.83 LOX (0.55) CNR1LOXLOXL2CYP19A1LRRK2
SCHEMBL16116782 0.83 LOX (0.55) CNR1LOXLOXL2CYP19A1LRRK2
SCHEMBL15344107 0.82 CNR1 (0.50) CNR1LOXLOXL2CYP19A1LRRK2
SCHEMBL16404625 0.82 CNR1 (0.49) CNR1LOXLOXL2NPC1RAB9A
SCHEMBL68300 0.81
SCHEMBL29664566 0.81
SCHEMBL31334609 0.79 GABRG2 (0.64) CNR1MEN1LOXLOXL2NPC1
SCHEMBL29431717 0.79 HSD17B1 (0.62) CNR1CYP19A1CYP3A4DYRK1APKN1

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-116283668-A Diaryl ureas as CB1 allosteric modulators 研究三角协会 2023-06-23 CN disclosed