SCHEMBL7816267

SCHEMBL7816267

CN1CCN(Cc2ccc(CNC(=O)/C=C/c3ccc4c(=O)c5[nH]nnc5c(=O)[nH]c4c3)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 14/20 0.43
HDAC6 Q9UBN7 13/20 0.43
HDAC3 O15379 10/20 0.43
HDAC4 P56524 10/20 0.43
HDAC7 Q8WUI4 10/20 0.43
HDAC2 Q92769 10/20 0.43
HDAC10 Q969S8 10/20 0.43
HDAC11 Q96DB2 10/20 0.43
HDAC8 Q9BY41 10/20 0.43
HDAC9 Q9UKV0 10/20 0.43
HDAC5 Q9UQL6 10/20 0.43
PARP1 P09874 4/20 0.39
PARP2 Q9UGN5 3/20 0.39
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KCNH2 Q12809 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL7830758 0.85 MMP1 (0.48) HDAC1SMN1; SMN2NPSR1
SCHEMBL7830762 0.85 MMP1 (0.48) HDAC1SMN1; SMN2NPSR1
SCHEMBL7816268 0.82 HDAC6 (0.40) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL7826963 0.75 TTR (0.41) HDAC1HDAC6HDAC3PARP1GAA
SCHEMBL7826959 0.75 TTR (0.41) HDAC1HDAC6HDAC3PARP1GAA
SCHEMBL7815811 0.73 NPC1 (0.33) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL7815807 0.73 NPC1 (0.33) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL7815301 0.73 KDM4E (0.42) HDAC1HDAC6PARP1
SCHEMBL8068924 0.72 PARP1 (0.38) PARP1NPSR1
SCHEMBL7838292 0.70 ALOX15 (0.45) HDAC1NPSR1

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
EP-0686636-B1 TRICYCLIC BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES MEIJI SEIKA CO (JP) 2001-04-04 EP disclosed
EP-0686636-A1 TRICYCLIC BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES MEIJI SEIKA KABUSHIKI KAISHA (JP) 1995-12-13 EP disclosed