SCHEMBL4228699

SCHEMBL4228699

CN(C)c1ccc(NC(=O)NC(CC(=O)O)c2ccc(C(=O)Nc3ccccc3N)nc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 19/20 0.50
HDAC3 O15379 15/20 0.50
HDAC8 Q9BY41 5/20 0.50
HDAC2 Q92769 11/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 1/20 0.47
P4HTM Q9NXG6 1/20 0.41
NCOR2 Q9Y618 6/20 0.41
NCOR1 O75376 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL4225220 0.86 HDAC1 (0.45) HDAC1HDAC3HDAC8HDAC2HDAC10
SCHEMBL4229378 0.85 HDAC1 (0.48) HDAC1HDAC3HDAC8HDAC2HDAC10
SCHEMBL3229763 0.80 HDAC1 (0.47) HDAC1HDAC3HDAC8HDAC2HDAC10
SCHEMBL3232427 0.79 HDAC1 (0.39) HDAC1HDAC3HDAC8P4HTM
SCHEMBL2384770 0.77 UTS2R (0.54) HDAC1HDAC3HDAC8HDAC2HDAC10
SCHEMBL4234988 0.77 HDAC1 (0.51) HDAC1HDAC3HDAC8HDAC2HDAC10
SCHEMBL3834514 0.77 HDAC1 (0.51) HDAC1HDAC3HDAC8HDAC2HDAC10
SCHEMBL3223818 0.76 HDAC1 (0.44) HDAC1HDAC3HDAC8HDAC2HDAC10
SCHEMBL4229434 0.76 UTS2R (0.55) HDAC1HDAC3HDAC8HDAC2HDAC10
SCHEMBL4368308 0.76 HDAC1 (0.47) HDAC1HDAC3HDAC8HDAC2HDAC10

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-2133339-A1 NOVEL (2-AMINOPHENYL)PYRIDINECARBOXAMIDE DERIVATIVE HAVING UREA STRUCTURE Santen Pharmaceutical Co., Ltd (JP) 2009-12-16 EP disclosed