SCHEMBL7094537

SCHEMBL7094537

NC(=O)/C(O)=C\c1ccc(CNCCc2c[nH]c3ccccc23)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.66
HDAC3 O15379 6/20 0.66
HDAC4 P56524 6/20 0.66
HDAC7 Q8WUI4 6/20 0.66
HDAC2 Q92769 6/20 0.66
HDAC10 Q969S8 6/20 0.66
HDAC11 Q96DB2 6/20 0.66
HDAC8 Q9BY41 6/20 0.66
HDAC6 Q9UBN7 6/20 0.66
HDAC9 Q9UKV0 6/20 0.66
HDAC5 Q9UQL6 6/20 0.66
KCNH2 Q12809 1/20 0.66
KMT2A Q03164 3/20 0.65
MC5R P33032 2/20 0.55
MC3R P41968 2/20 0.55
MC1R Q01726 2/20 0.55
NAMPT P43490 1/20 0.51
MEN1 O00255 2/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50

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
SCHEMBL5683659 1.00 HDAC1 (0.66) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5683655 0.81 KMT2A (0.65) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL830201 0.80 MC5R (0.79) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL309994 0.80 HDAC1 (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL309995 0.80 HDAC1 (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL12487265 0.79 HDAC1 (0.73) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL164803 0.79 HDAC1 (0.73) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL3261129 0.79 HDAC1 (0.73) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL14145085 0.79 HDAC1 (0.72) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL7008414 0.79 HDAC1 (0.66) HDAC1HDAC3HDAC4HDAC7HDAC2

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-1318980-A2 HYDROXAMATE DERIVATIVES USEFUL AS DEACETYLASE INHIBITORS Novartis AG (CH) 2003-06-18 EP disclosed
WO-2002022577-A2 HYDROXAMATE DERIVATIVES USEFUL AS DEACETYLASE INHIBITORS NOVARTIS AG (CH) 2002-03-21 WO disclosed