SCHEMBL4228901

SCHEMBL4228901

CCN(CC)CCC(NC(=O)Nc1ccc(F)c(F)c1)c1ccc(C(=O)Nc2ccccc2N)nc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 0.47
HDAC3 O15379 14/20 0.47
HDAC8 Q9BY41 4/20 0.47
HDAC2 Q92769 10/20 0.44
NCOR2 Q9Y618 7/20 0.44
UTS2R Q9UKP6 4/20 0.43
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 1/20 0.42
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL2383746 0.95 HDAC1 (0.47) HDAC1HDAC3HDAC8HDAC2NCOR2
SCHEMBL4224435 0.91 HDAC1 (0.47) HDAC1HDAC3HDAC8HDAC2NCOR2
SCHEMBL4229534 0.89 HDAC3 (0.46) HDAC1HDAC3HDAC8HDAC2NCOR2
SCHEMBL3230138 0.89 UTS2R (0.47) HDAC1HDAC3HDAC8HDAC2NCOR2
SCHEMBL4234564 0.88 UTS2R (0.40) HDAC1HDAC3HDAC8HDAC2NCOR2
SCHEMBL4224033 0.87 HDAC1 (0.51) HDAC1HDAC3HDAC8HDAC2NCOR2
SCHEMBL4225149 0.87 HDAC1 (0.50) HDAC1HDAC3HDAC8HDAC2UTS2R
SCHEMBL4368308 0.86 HDAC1 (0.47) HDAC1HDAC3HDAC8HDAC2NCOR2
SCHEMBL4223952 0.86 HDAC1 (0.46) HDAC1HDAC3HDAC8HDAC2NCOR2
SCHEMBL4219358 0.86 HDAC3 (0.46) HDAC1HDAC3HDAC8HDAC2NCOR2

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