SCHEMBL28637441

SCHEMBL28637441

CCN1C(=O)c2cccc3c(NCc4ccccc4)ccc(c23)C1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.62
HDAC6 Q9UBN7 2/20 0.62
HDAC3 O15379 1/20 0.62
HDAC4 P56524 1/20 0.62
HDAC7 Q8WUI4 1/20 0.62
HDAC2 Q92769 1/20 0.62
HDAC10 Q969S8 1/20 0.62
HDAC11 Q96DB2 1/20 0.62
HDAC8 Q9BY41 1/20 0.62
HDAC9 Q9UKV0 1/20 0.62
HDAC5 Q9UQL6 1/20 0.62
NCOR2 Q9Y618 1/20 0.62
BCL2 P10415 1/20 0.57
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
USP2 O75604 3/20 0.56
MAPT P10636 3/20 0.56
HTT P42858 3/20 0.56
ATM Q13315 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56

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
SCHEMBL17833832 0.85 KMT2A (0.62) HDAC1HDAC6HDAC3HDAC7HDAC2
SCHEMBL17992529 0.81 BRD4 (0.71) KMT2AMAPTHTTNPSR1L3MBTL1
SCHEMBL29437237 0.81 BRD4 (0.71) KMT2AMAPTHTTNPSR1L3MBTL1
SCHEMBL31373066 0.81 MEN1 (0.64) HDAC1HDAC6HDAC3HDAC7HDAC2
SCHEMBL29437260 0.80 BRD4 (0.72) KMT2AMAPTHTTNPSR1L3MBTL1
SCHEMBL29437268 0.80 BRD4 (0.72) KMT2AMAPTHTTNPSR1ALDH1A1
SCHEMBL17992487 0.80 BRD4 (0.72) KMT2AMAPTHTTNPSR1ALDH1A1
SCHEMBL17992485 0.80 BRD4 (0.72) KMT2AMAPTHTTNPSR1L3MBTL1
SCHEMBL3404873 0.80 KMT2A (0.67) MEN1KMT2AUSP2MAPTHTT
SCHEMBL17992519 0.78 BRD4 (0.61) KMT2AMAPTHTTNPSR1ALDH1A1

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-107540608-B 4-substituted naphthalimide compound and application thereof 大连理工大学 2021-10-19 CN disclosed