SCHEMBL17813775

SCHEMBL17813775

C=C(NO)c1cnc(NC2(c3ccccc3)CC2)nc1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 17/20 0.71
HDAC1 Q13547 17/20 0.71
HDAC2 Q92769 17/20 0.71
HDAC6 Q9UBN7 17/20 0.71
VNN1 O95497 3/20 0.64
HDAC4 P56524 1/20 0.63
HDAC7 Q8WUI4 1/20 0.63
HDAC10 Q969S8 1/20 0.63
HDAC11 Q96DB2 1/20 0.63
HDAC8 Q9BY41 1/20 0.63
HDAC9 Q9UKV0 1/20 0.63
HDAC5 Q9UQL6 1/20 0.63

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
SCHEMBL4730434 0.83 HDAC3 (1.00) HDAC3HDAC1HDAC2HDAC6VNN1
SCHEMBL20491534 0.81 VNN1 (0.78) HDAC3HDAC1HDAC2HDAC6VNN1
SCHEMBL18769528 0.79 VNN1 (0.59) HDAC3HDAC1HDAC2HDAC6VNN1
SCHEMBL20491187 0.79 HDAC6 (0.64) HDAC3HDAC1HDAC2HDAC6VNN1
SCHEMBL21180512 0.79 VNN1 (0.66) HDAC3HDAC1HDAC2HDAC6VNN1
SCHEMBL18286325 0.78 VNN1 (1.00) HDAC3HDAC1HDAC2HDAC6VNN1
SCHEMBL4730187 0.78 HDAC3 (1.00) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL4730060 0.78 HDAC3 (1.00) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL16677850 0.78 HDAC6 (1.00) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL4729765 0.77 HDAC3 (1.00) HDAC3HDAC1HDAC2HDAC6HDAC4

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-2016090230-A1 PYRIMIDINE HYDROXY AMIDE COMPOUNDS FOR TREATING PERIPHERAL NEUROPATHY ACETYLON PHARMACEUTICALS, INC. (US) 2016-06-09 WO disclosed