SCHEMBL2473404

SCHEMBL2473404

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

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 18/20 0.44
HDAC2 Q92769 6/20 0.42
HDAC3 O15379 5/20 0.42
NCOR2 Q9Y618 4/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC6 Q9UBN7 1/20 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
SCHEMBL2476211 0.88 HDAC1 (0.56) HDAC1HDAC2HDAC3NCOR2
SCHEMBL3835935 0.88 HDAC1 (0.47) HDAC1HDAC2HDAC3NCOR2HDAC6
SCHEMBL2476443 0.85 HDAC1 (0.56) HDAC1HDAC2HDAC3NCOR2ALDH1A1
SCHEMBL2475971 0.82 HDAC1 (0.54) HDAC1HDAC2HDAC3MEN1KMT2A
SCHEMBL2478981 0.82 NPC1 (0.42) HDAC1HDAC2HDAC3NCOR2MEN1
SCHEMBL2471481 0.81 HDAC1 (0.50) HDAC1HDAC2HDAC3NCOR2MEN1
SCHEMBL3832438 0.75 HDAC1 (0.41) HDAC1MEN1ALDH1A1KMT2A
SCHEMBL3835098 0.75 HDAC1 (0.41) HDAC1MEN1KMT2ASMN1; SMN2
SCHEMBL2471256 0.74 UTS2R (0.58) HDAC1HDAC2HDAC3NCOR2
SCHEMBL2480482 0.73 UTS2R (0.55) HDAC1HDAC2HDAC3NCOR2

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-B1 NOVEL N-(2-AMINOPHENYL)BENZAMIDE DERIVATIVE HAVING AN UREA STRUCTURE SANTEN PHARMACEUTICAL CO LTD (JP) 2011-10-12 EP claimed