SCHEMBL21563917

SCHEMBL21563917

N#Cc1ccc2[nH]c3c4c(=O)c5cc(C#N)ccc5[nH]c4c4c(=O)c5cc(C#N)ccc5[nH]c4c3c(=O)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 1/20 0.53
▸ PARP1 P09874 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ FASN P49327 1/20 0.47
▸ CHUK O15111 1/20 0.46
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ GSK3B P49841 5/20 0.44
▸ CDK5 Q00535 5/20 0.44
▸ CDK5R1 Q15078 5/20 0.44
▸ GSK3A P49840 3/20 0.44
▸ NOS3 P29474 1/20 0.42
▸ NOS1 P29475 1/20 0.42
▸ NOS2 P35228 1/20 0.42
▸ CCNB2 O95067 3/20 0.42
▸ CDK1 P06493 3/20 0.42
▸ CCNB1 P14635 3/20 0.42
▸ CCNB3 Q8WWL7 3/20 0.42
▸ CCNA2 P20248 2/20 0.42
▸ CDK2 P24941 2/20 0.42

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
SCHEMBL21563919 0.86 NOS3 (0.46) ARPARP1NOS3NOS1NOS2
SCHEMBL28446100 0.85 CHUK (0.56) ARPARP1L3MBTL1FASNCHUK
SCHEMBL8669890 0.85 AR (0.52) ARPARP1L3MBTL1FASNCHUK
SCHEMBL3794091 0.82 AR (0.55) ARPARP1L3MBTL1FASNCHUK
SCHEMBL28448478 0.79 CHUK (0.50) ARL3MBTL1FASNCHUKMEN1
SCHEMBL31357829 0.78 GAA (0.60) ARL3MBTL1FASNCHUKMEN1
SCHEMBL22566966 0.78 ROCK2 (0.61) PARP1MEN1KMT2AGSK3BCDK5
SCHEMBL12246587 0.77 FASN (0.51) ARPARP1L3MBTL1FASNCHUK
SCHEMBL606784 0.77 CHUK (0.68) ARL3MBTL1FASNCHUKMEN1
SCHEMBL29402283 0.77 CHUK (0.68) ARL3MBTL1FASNCHUKMEN1

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
US-11322693-B2 Organic light-emitting element, and light-emitting material and fluorescent body used in same KYUSHU UNIVERSITY NATIONAL UNIVERSITY CORPORATION (JP) 2022-05-03 — — US disclosed
US-20190348617-A1 ORGANIC LIGHT-EMITTING ELEMENT, AND LIGHT-EMITTING MATERIAL AND FLUORESCENT BODY USED IN SAME KYUSHU UNIVERSITY NATIONAL UNIVERSITY CORPORATION (JP) 2019-11-14 — — US disclosed
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