SCHEMBL16655138

SCHEMBL16655138

C=C(C(=O)NO)c1ccc(CN(C)CC23CC4CC(CC(C4)C2)C3)cc1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 14/20 0.74
HDAC5 Q9UQL6 6/20 0.62
HDAC4 P56524 5/20 0.62
HDAC1 Q13547 5/20 0.62
HDAC8 Q9BY41 4/20 0.62
HDAC3 O15379 4/20 0.62
HDAC2 Q92769 2/20 0.62
HDAC10 Q969S8 2/20 0.62
P2RX7 Q99572 3/20 0.56
HDAC7 Q8WUI4 3/20 0.54
HDAC11 Q96DB2 3/20 0.54
HDAC9 Q9UKV0 2/20 0.54
CXCR3 P49682 1/20 0.43

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
SCHEMBL20535265 0.85 HDAC6 (1.00) HDAC6HDAC5HDAC4HDAC1HDAC8
SCHEMBL20535891 0.81 HDAC6 (0.73) HDAC6HDAC5HDAC4HDAC1HDAC8
SCHEMBL19682901 0.80 HDAC6 (0.72) HDAC6HDAC5HDAC4HDAC1HDAC8
SCHEMBL16655216 0.77 HDAC6 (0.73) HDAC6HDAC5HDAC1HDAC8HDAC3
SCHEMBL16653782 0.77 HDAC6 (1.00) HDAC6HDAC5HDAC4HDAC1HDAC8
SCHEMBL19666006 0.77 HDAC6 (1.00) HDAC6HDAC5HDAC4HDAC1HDAC8
SCHEMBL19666090 0.77 HDAC6 (1.00) HDAC6HDAC5HDAC4HDAC1HDAC8
SCHEMBL16653780 0.77 HDAC6 (1.00) HDAC6HDAC5HDAC4HDAC1HDAC8
SCHEMBL19678427 0.77 HDAC6 (1.00) HDAC6HDAC5HDAC4HDAC1HDAC8
SCHEMBL18085897 0.74 HDAC6 (0.94) HDAC6HDAC5HDAC4HDAC1HDAC8

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-3062783-A1 IMAGING HISTONE DEACETYLASES WITH A RADIOTRACER USING POSITRON EMISSION TOMOGRAPHY The General Hospital Corporation DBA Massachusetts (US) 2016-09-07 EP disclosed
WO-2015058106-A1 IMAGING HISTONE DEACETYLASES WITH A RADIOTRACER USING POSITRON EMISSION TOMOGRAPHY THE GENERAL HOSPITAL CORPORATION (US) 2015-04-23 WO disclosed