SCHEMBL12199822

SCHEMBL12199822

CN(C)CCN(Cc1ccc(C(=O)Nc2ccccc2NC(=O)CC(C)(C)C)cc1)C(=O)Nc1cccc2c1CCCC2

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.46
HDAC1 Q13547 3/20 0.46
KDM4E B2RXH2 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
LMNA P02545 3/20 0.43
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
ROCK1 Q13464 1/20 0.41
TSHR P16473 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL2502242 0.87 HDAC6 (0.45) HDAC6HDAC1KDM4EL3MBTL1ALDH1A1
SCHEMBL4399806 0.86 HDAC1 (0.52) HDAC6HDAC1KDM4EL3MBTL1ALDH1A1
SCHEMBL13646294 0.77 HDAC1 (0.51) HDAC6HDAC1KDM4EMEN1KMT2A
SCHEMBL13646319 0.76 ALDH1A1 (0.44) HDAC6HDAC1KDM4EL3MBTL1ALDH1A1
SCHEMBL13646269 0.76 HDAC1 (0.51) HDAC6HDAC1KMT2AROCK1TSHR
SCHEMBL13646243 0.72 HDAC1 (0.49) HDAC6HDAC1KDM4EL3MBTL1ALDH1A1
SCHEMBL2474631 0.71 HDAC1 (0.50) HDAC6HDAC1KDM4EL3MBTL1ALDH1A1
SCHEMBL7300382 0.71 L3MBTL1 (0.67) KDM4EL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL9615978 0.70 ALDH1A1 (0.64) KDM4EL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL3832767 0.70 HDAC1 (0.54) HDAC6HDAC1ALDH1A1ROCK1TSHR

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 disclosed