SCHEMBL17814775

SCHEMBL17814775

CC=C(N)c1cnc(NC2(c3ccccc3)CC2)nc1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 4/20 0.63
HDAC3 O15379 15/20 0.61
HDAC1 Q13547 15/20 0.61
HDAC2 Q92769 15/20 0.61
HDAC6 Q9UBN7 15/20 0.61
HDAC4 P56524 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55

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
SCHEMBL17814776 0.80 HDAC3 (0.60) VNN1HDAC3HDAC1HDAC2HDAC6
SCHEMBL20491534 0.80 VNN1 (0.78) VNN1HDAC3HDAC1HDAC2HDAC6
SCHEMBL18742508 0.78 HDAC3 (0.78) VNN1HDAC3HDAC1HDAC2HDAC6
SCHEMBL19710840 0.77 VNN1 (0.61) VNN1HDAC3HDAC1HDAC2HDAC6
SCHEMBL21180512 0.77 VNN1 (0.66) VNN1HDAC3HDAC1HDAC2HDAC6
SCHEMBL18286325 0.77 VNN1 (1.00) VNN1HDAC3HDAC1HDAC2HDAC6
SCHEMBL4730434 0.76 HDAC3 (1.00) VNN1HDAC3HDAC1HDAC2HDAC6
SCHEMBL17813775 0.76 HDAC3 (0.71) VNN1HDAC3HDAC1HDAC2HDAC6
SCHEMBL18769528 0.75 VNN1 (0.59) VNN1HDAC3HDAC1HDAC2HDAC6
SCHEMBL20491187 0.74 HDAC6 (0.64) VNN1HDAC3HDAC1HDAC2HDAC6

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-2016087950-A1 COMBINATIONS OF HISTONE DEACETYLASE INHIBITORS AND BENDAMUSTINE FOR USE IN THE TREATMENT OF LYMPHOMA University of Modena and Reggio Emilia (IT) 2016-06-09 WO disclosed