SCHEMBL13646237

SCHEMBL13646237

CC(C)(C)CC(=O)Nc1ccccc1NC(=O)c1ccc(CN(CCCN2CCOCC2)C(=O)NCCCc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
NAMPT P43490 6/20 0.48
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 1/20 0.42
GAA P10253 1/20 0.42
TACR2 P21452 1/20 0.42

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
SCHEMBL13646279 0.97 NAMPT (0.48) POLBNAMPTHDAC1HDAC6MEN1
SCHEMBL3836221 0.89 POLB (0.48) POLBNAMPTHDAC1HDAC6MEN1
SCHEMBL2476313 0.87 POLB (0.52) POLBNAMPTHDAC1HDAC6MEN1
SCHEMBL13646265 0.86 NAMPT (0.47) POLBNAMPTHDAC1ALDH1A1TSHR
SCHEMBL13646268 0.86 HSD17B10 (0.43) POLBNAMPTHDAC1HDAC6KMT2A
SCHEMBL13646307 0.86 HSD17B10 (0.48) POLBNAMPTHDAC1HDAC6KDM4E
SCHEMBL3835937 0.86 NAMPT (0.48) POLBNAMPTHDAC1HDAC6MEN1
SCHEMBL13646306 0.84 HSD17B10 (0.47) POLBNAMPTMEN1KMT2AKDM4E
SCHEMBL12051883 0.83 NAMPT (0.51) POLBNAMPTHDAC1HDAC6MEN1
SCHEMBL13646250 0.82 ALDH1A1 (0.51) POLBNAMPTKDM4EALDH1A1SMN1; SMN2

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