SCHEMBL27802880

SCHEMBL27802880

NCc1cccc(-c2ccc3cc(-n4cccc4)ccc3n2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 9/20 0.50
▸ MAOB P27338 9/20 0.50
▸ KARS1 Q15046 1/20 0.38
▸ CDK8 P49336 1/20 0.37
▸ AKT1 P31749 2/20 0.36
▸ AKT2 P31751 2/20 0.36
▸ AKT3 Q9Y243 2/20 0.36
▸ NOS3 P29474 1/20 0.36
▸ NOS1 P29475 1/20 0.36
▸ NOS2 P35228 1/20 0.36
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ MTOR P42345 1/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ SENP8 Q96LD8 1/20 0.35
▸ SENP7 Q9BQF6 1/20 0.35
▸ SENP6 Q9GZR1 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ CFD P00746 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
SCHEMBL3408047 0.80 MAOA (0.53) MAOAMAOBNPC1RAB9A
SCHEMBL28247968 0.79 KARS1 (0.52) KARS1CDK8NOS3NOS1NOS2
SCHEMBL12313217 0.77 MAOA (0.57) MAOAMAOBNPC1RAB9A
SCHEMBL12313226 0.75 MAOA (0.50) MAOAMAOBNPC1RAB9ACASP3
SCHEMBL12313223 0.74 MAOA (0.52) MAOAMAOBNPC1RAB9ACASP3
SCHEMBL109402 0.72 AOC2 (0.56) NOS3NOS1NOS2AOC2
SCHEMBL12313219 0.70 MAOA (0.42) MAOAMAOBNPC1RAB9ACASP3
SCHEMBL28003858 0.69 HRH3 (0.43) KARS1CDK8AKT1AKT2AKT3
SCHEMBL20047077 0.68 BACE1 (0.66) CDK8NOS3NOS1NOS2
SCHEMBL12313216 0.68 MAOA (0.46) MAOAMAOBNPC1RAB9A

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-101724390-B Red phosphorescent compound and organic electroluminescent device using the same LG DISPLAY CO LTD 2013-07-03 — — CN disclosed
CN-101724390-A Red phosphorescent compound and organic electroluminescent device using the same LG DISPLAY CO LTD 2010-06-09 — — CN disclosed
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