SCHEMBL723567

SCHEMBL723567

O=C(/C=C/c1ccc(CN2CCNCC2)cc1)NO

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 0.64
HDAC6 Q9UBN7 11/20 0.64
HDAC8 Q9BY41 9/20 0.64
HDAC2 Q92769 8/20 0.64
HDAC3 O15379 8/20 0.64
HDAC4 P56524 7/20 0.64
HDAC7 Q8WUI4 7/20 0.64
HDAC10 Q969S8 7/20 0.64
HDAC11 Q96DB2 7/20 0.64
HDAC9 Q9UKV0 7/20 0.64
HDAC5 Q9UQL6 7/20 0.64
KCNH2 Q12809 3/20 0.55
LMNA P02545 1/20 0.53
MAPK1 P28482 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CHRM1 P11229 1/20 0.52
HTR2A P28223 1/20 0.52
MCHR1 Q99705 1/20 0.52
RAB9A P51151 1/20 0.51

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
SCHEMBL723568 1.00 HDAC1 (0.64) HDAC1HDAC6HDAC8HDAC2HDAC3
SCHEMBL27741238 0.92 HDAC1 (0.77) HDAC1HDAC6HDAC8HDAC2HDAC3
SCHEMBL1481640 0.92 HDAC1 (0.77) HDAC1HDAC6HDAC8HDAC2HDAC3
SCHEMBL1481642 0.92 HDAC1 (0.77) HDAC1HDAC6HDAC8HDAC2HDAC3
SCHEMBL723534 0.87 CHRM1 (0.66) HDAC1HDAC6HDAC8HDAC2HDAC3
SCHEMBL723533 0.87 CHRM1 (0.66) HDAC1HDAC6HDAC8HDAC2HDAC3
SCHEMBL724056 0.86 HDAC1 (0.69) HDAC1HDAC6HDAC8HDAC2HDAC3
SCHEMBL723773 0.86 HDAC1 (0.67) HDAC1HDAC6HDAC8HDAC2HDAC3
SCHEMBL1486886 0.86 HDAC1 (0.69) HDAC1HDAC6HDAC8HDAC2HDAC3
SCHEMBL723772 0.86 HDAC1 (0.67) HDAC1HDAC6HDAC8HDAC2HDAC3

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-2012025155-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2012-03-01 WO disclosed