SCHEMBL28316507

SCHEMBL28316507

CC(=O)CCCCCC(NC(=O)c1cccc(C#N)c1)C(=O)Nc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 16/20 0.59
▸ HDAC4 P56524 7/20 0.52
▸ HDAC3 O15379 6/20 0.52
▸ HDAC7 Q8WUI4 6/20 0.52
▸ HDAC2 Q92769 6/20 0.52
▸ HDAC10 Q969S8 6/20 0.52
▸ HDAC11 Q96DB2 6/20 0.52
▸ HDAC8 Q9BY41 6/20 0.52
▸ HDAC6 Q9UBN7 6/20 0.52
▸ HDAC9 Q9UKV0 6/20 0.52
▸ HDAC5 Q9UQL6 6/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ MEF2D Q14814 1/20 0.46

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
SCHEMBL5127746 1.00 HDAC1 (0.59) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL5130136 0.86 HDAC1 (0.59) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL28316169 0.86 HDAC1 (0.59) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL14254988 0.77 HDAC1 (0.61) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL14254913 0.77 HDAC1 (0.61) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL14254912 0.76 HDAC1 (0.57) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL5119289 0.75 HDAC1 (0.66) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL15513503 0.75 HDAC1 (1.00) HDAC1HDAC4HDAC3HDAC2HDAC6
SCHEMBL14254985 0.74 HDAC1 (0.71) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL8337680 0.74 HDAC1 (0.71) HDAC1HDAC4HDAC3HDAC7HDAC2

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-110063951-A Improve the Compounds and methods for of impaired endogenous fibrinolysis using histone deacetylase mortifier 赛伦诺科学有限公司 2019-07-30 — — CN disclosed
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