SCHEMBL22874097

SCHEMBL22874097

Cc1cnc(NC2(c3ccccc3)CCN(C(=O)Nc3c(F)cccc3F)CC2)nc1

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 19/20 0.77
HDAC1 Q13547 19/20 0.77
HDAC2 Q92769 19/20 0.77
HDAC6 Q9UBN7 19/20 0.77
VNN1 O95497 1/20 0.46

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
SCHEMBL16632500 0.87 HDAC3 (1.00) HDAC3HDAC1HDAC2HDAC6
SCHEMBL16644415 0.87 HDAC3 (0.73) HDAC3HDAC1HDAC2HDAC6
SCHEMBL21698898 0.86 HDAC3 (0.75) HDAC3HDAC1HDAC2HDAC6VNN1
SCHEMBL16644351 0.78 HDAC3 (0.73) HDAC3HDAC1HDAC2HDAC6
SCHEMBL16632303 0.77 HDAC3 (1.00) HDAC3HDAC1HDAC2HDAC6
SCHEMBL22874123 0.77 HDAC3 (0.56) HDAC3HDAC1HDAC2HDAC6VNN1
SCHEMBL22874169 0.76 HDAC3 (0.75) HDAC3HDAC1HDAC2HDAC6
SCHEMBL22874116 0.75 HDAC3 (0.72) HDAC3HDAC1HDAC2HDAC6
SCHEMBL16632448 0.75 HDAC3 (1.00) HDAC3HDAC1HDAC2HDAC6
SCHEMBL19710840 0.74 VNN1 (0.61) HDAC3HDAC1HDAC2HDAC6VNN1

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
EP-3055299-B1 PYRIMIDINE HYDROXY AMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS ACETYLON PHARMACEUTICALS INC (US) 2021-01-06 EP disclosed