SCHEMBL4233203

SCHEMBL4233203

CCOc1cccc(NC(=O)NC(CCCN(CC)CC)c2ccc(C(=O)Nc3ccccc3N)nc2)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 4/20 0.46
MEF2D Q14814 4/20 0.46
HDAC1 Q13547 9/20 0.46
HDAC3 O15379 9/20 0.46
HDAC8 Q9BY41 4/20 0.46
UTS2R Q9UKP6 1/20 0.42
HDAC2 Q92769 4/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 1/20 0.41
EP300 Q09472 2/20 0.40
NCOR2 Q9Y618 2/20 0.39
TMEM97 Q5BJF2 5/20 0.39
SIGMAR1 Q99720 5/20 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
SCHEMBL4223952 0.89 HDAC1 (0.46) HDAC1HDAC3HDAC8HDAC2HDAC10
SCHEMBL3227174 0.88 UTS2R (0.41) HDAC4MEF2DUTS2RTMEM97SIGMAR1
SCHEMBL4219548 0.87 HDAC1 (0.47) HDAC4HDAC1HDAC3HDAC8UTS2R
SCHEMBL2383746 0.87 HDAC1 (0.47) HDAC1HDAC3HDAC8UTS2RHDAC2
SCHEMBL4224033 0.87 HDAC1 (0.51) HDAC1HDAC3HDAC8HDAC2HDAC10
SCHEMBL4219358 0.86 HDAC3 (0.46) HDAC1HDAC3HDAC8HDAC2HDAC10
SCHEMBL4229534 0.85 HDAC3 (0.46) HDAC1HDAC3HDAC8UTS2RHDAC2
SCHEMBL4224435 0.84 HDAC1 (0.47) HDAC1HDAC3HDAC8UTS2RHDAC2
SCHEMBL4229378 0.84 HDAC1 (0.48) HDAC1HDAC3HDAC8UTS2RHDAC2
SCHEMBL2478995 0.83 HDAC1 (0.51) HDAC4MEF2DHDAC1HDAC3UTS2R

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