SCHEMBL4227690

SCHEMBL4227690

CN(C)CCCC(NC(=O)Nc1cccnc1)c1ccc(C(=O)Nc2ccccc2N)nc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 6/20 0.48
MEF2D Q14814 3/20 0.48
HDAC1 Q13547 13/20 0.46
HDAC3 O15379 12/20 0.46
HDAC2 Q92769 9/20 0.46
HDAC8 Q9BY41 7/20 0.45
HDAC6 Q9UBN7 4/20 0.43
HDAC10 Q969S8 4/20 0.43
HDAC11 Q96DB2 4/20 0.43
HDAC7 Q8WUI4 3/20 0.42
HDAC9 Q9UKV0 3/20 0.42
HDAC5 Q9UQL6 3/20 0.42
ABL1 P00519 2/20 0.42
PDGFRB P09619 2/20 0.42
KDR P35968 2/20 0.42
EPHA2 P29317 1/20 0.41
NAMPT P43490 1/20 0.41
UTS2R Q9UKP6 4/20 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
SCHEMBL4231224 0.95 HDAC4 (0.47) HDAC4MEF2DHDAC1HDAC3HDAC2
SCHEMBL2470981 0.90 HDAC1 (0.51) HDAC4MEF2DHDAC1HDAC3HDAC2
SCHEMBL4224028 0.88 UTS2R (0.43) HDAC4HDAC1HDAC3HDAC2HDAC8
SCHEMBL2384389 0.87 HDAC1 (0.47) HDAC1HDAC3HDAC2HDAC8HDAC10
SCHEMBL2386015 0.87 HDAC3 (0.43) HDAC4HDAC1HDAC3HDAC2HDAC8
SCHEMBL3234631 0.86 NAMPT (0.42) NAMPTUTS2R
SCHEMBL4225186 0.86 HDAC3 (0.46) HDAC4HDAC1HDAC3HDAC2HDAC8
SCHEMBL3230138 0.86 UTS2R (0.47) HDAC1HDAC3HDAC2HDAC8HDAC10
SCHEMBL3229763 0.86 HDAC1 (0.47) HDAC1HDAC3HDAC2HDAC8HDAC10
SCHEMBL2384770 0.86 UTS2R (0.54) HDAC4HDAC1HDAC3HDAC2HDAC8

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