SCHEMBL10143368

SCHEMBL10143368

C=C1C=C(C)c2ccc(NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)NCCc3c[nH]c4ccccc34)cc2N1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.44
▸ HDAC4 P56524 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC7 Q8WUI4 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ HDAC10 Q969S8 1/20 0.44
▸ HDAC11 Q96DB2 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ HDAC9 Q9UKV0 1/20 0.44
▸ HDAC5 Q9UQL6 1/20 0.44
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ MAPT P10636 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ GOT1 P17174 1/20 0.42
▸ CCKBR P32239 2/20 0.41

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
SCHEMBL10144437 0.85 HDAC1 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10143782 0.82 MEN1 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10143362 0.78 HDAC1 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7550956 0.72 MEN1 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5745010 0.71 MEN1 (0.67) KMT2AMEN1
SCHEMBL4614285 0.70 NMBR (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13702222 0.70 TACR1 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL30906924 0.70 TACR1 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL30906925 0.69 CTSL (0.65) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13702223 0.69 CTSL (0.65) HDAC3HDAC4HDAC1HDAC7HDAC2

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
WO-2012009258-A2 PEPTIDOMIMETIC GALANIN RECEPTOR MODULATORS ROBERTS EDWARD (US) 2012-01-19 — — WO disclosed
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