SCHEMBL4229743

SCHEMBL4229743

CN(C)CCCCCC(NC(=O)Nc1cccc(F)c1)c1ccc(C(=O)Nc2ccccc2N)nc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.46
HDAC3 O15379 12/20 0.42
HDAC2 Q92769 9/20 0.42
NCOR2 Q9Y618 7/20 0.42
UTS2R Q9UKP6 4/20 0.42
HDAC8 Q9BY41 3/20 0.41
KIT P10721 1/20 0.40
DDR2 Q16832 1/20 0.40
MTOR P42345 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
NCOR1 O75376 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
SCHEMBL4222716 0.99 HDAC1 (0.47) HDAC1HDAC3HDAC2NCOR2UTS2R
SCHEMBL2384389 0.97 HDAC1 (0.47) HDAC1HDAC3HDAC2NCOR2UTS2R
SCHEMBL2384677 0.94 HDAC1 (0.49) HDAC1HDAC3HDAC2NCOR2UTS2R
SCHEMBL4223952 0.89 HDAC1 (0.46) HDAC1HDAC3HDAC2NCOR2HDAC8
SCHEMBL4224028 0.88 UTS2R (0.43) HDAC1HDAC3HDAC2UTS2RHDAC8
SCHEMBL3230138 0.88 UTS2R (0.47) HDAC1HDAC3HDAC2NCOR2UTS2R
SCHEMBL1497122 0.88 UTS2R (0.42) HDAC1HDAC3HDAC2NCOR2UTS2R
SCHEMBL4224435 0.87 HDAC1 (0.47) HDAC1HDAC3HDAC2NCOR2UTS2R
SCHEMBL3262063 0.87 UTS2R (0.41) HDAC1HDAC3HDAC2UTS2RHDAC8
SCHEMBL2386741 0.87 HDAC3 (0.43) HDAC1HDAC3HDAC2NCOR2UTS2R

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