SCHEMBL28448478

SCHEMBL28448478

N#Cc1ccc2c(=O)c3cc(C#N)ccc3[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHUK O15111 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ POLB P06746 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ FASN P49327 1/20 0.47
▸ NOS3 P29474 1/20 0.46
▸ NOS1 P29475 1/20 0.46
▸ NOS2 P35228 1/20 0.46
▸ AR P10275 1/20 0.45
▸ GSK3B P49841 2/20 0.44
▸ CDK5 Q00535 2/20 0.44
▸ CDK5R1 Q15078 2/20 0.44
▸ GSK3A P49840 1/20 0.44
▸ GAA P10253 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ GLA P06280 2/20 0.44
▸ HTT P42858 2/20 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
SCHEMBL28446100 0.93 CHUK (0.56) CHUKL3MBTL1MEN1KMT2APOLB
SCHEMBL31357829 0.88 GAA (0.60) CHUKL3MBTL1MEN1KMT2APOLB
SCHEMBL20115884 0.85 CHUK (0.65) CHUKL3MBTL1MEN1KMT2AFASN
SCHEMBL606784 0.81 CHUK (0.68) CHUKL3MBTL1MEN1KMT2AFASN
SCHEMBL30545930 0.81 CHUK (0.68) CHUKL3MBTL1MEN1KMT2AFASN
SCHEMBL29402283 0.81 CHUK (0.68) CHUKL3MBTL1MEN1KMT2AFASN
SCHEMBL6007662 0.81 CHUK (0.53) CHUKL3MBTL1MEN1KMT2ANOS3
SCHEMBL21563917 0.79 AR (0.53) CHUKL3MBTL1MEN1KMT2AFASN
SCHEMBL21563919 0.79 NOS3 (0.46) NOS3NOS1NOS2ARCDK2
SCHEMBL28589834 0.79 CHUK (0.66) CHUKL3MBTL1MEN1KMT2AFASN

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-111621022-A Polyimide with antibacterial and high-barrier properties, and preparation method and application thereof 湖南工业大学 2020-09-04 — — CN disclosed
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