SCHEMBL3835935

SCHEMBL3835935

CN(C)CC(C)(C)CC(NC(=O)Nc1ccc(N(C)C)cc1)c1ccc(C(=O)Nc2ccccc2N)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 19/20 0.47
HDAC3 O15379 9/20 0.45
HDAC2 Q92769 7/20 0.45
NCOR2 Q9Y618 5/20 0.44
EPHA2 P29317 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43

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
SCHEMBL2476211 0.91 HDAC1 (0.56) HDAC1HDAC3HDAC2NCOR2
SCHEMBL2476443 0.88 HDAC1 (0.56) HDAC1HDAC3HDAC2NCOR2HDAC6
SCHEMBL2473404 0.88 HDAC1 (0.44) HDAC1HDAC3HDAC2NCOR2HDAC6
SCHEMBL3832438 0.87 HDAC1 (0.41) HDAC1
SCHEMBL2475971 0.86 HDAC1 (0.54) HDAC1HDAC3HDAC2EPHA2HDAC4
SCHEMBL2480482 0.85 UTS2R (0.55) HDAC1HDAC3HDAC2NCOR2
SCHEMBL3834514 0.85 HDAC1 (0.51) HDAC1HDAC3HDAC2NCOR2EPHA2
SCHEMBL2478981 0.85 NPC1 (0.42) HDAC1HDAC3HDAC2NCOR2
SCHEMBL2471332 0.84 HDAC1 (0.50) HDAC1HDAC3HDAC2NCOR2EPHA2
SCHEMBL3834328 0.84 HDAC1 (0.52) HDAC1HDAC3HDAC2NCOR2EPHA2

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-2107052-A1 NOVEL N-(2-AMINOPHENYL)BENZAMIDE DERIVATIVE HAVING AN UREA STRUCTURE Santen Pharmaceutical Co., Ltd (JP) 2009-10-07 EP disclosed