SCHEMBL2475971

SCHEMBL2475971

COc1ccc(NC(=O)NC(CC(C)(C)CN(C)C)c2ccc(C(=O)Nc3ccccc3N)cc2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 0.54
HDAC2 Q92769 6/20 0.54
NR1H4 Q96RI1 1/20 0.47
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
EPHA2 P29317 1/20 0.44
MCHR1 Q99705 1/20 0.42
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 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
SCHEMBL3835935 0.86 HDAC1 (0.47) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL2476211 0.86 HDAC1 (0.56) HDAC1HDAC2HDAC3
SCHEMBL2478981 0.85 NPC1 (0.42) HDAC1HDAC2HDAC3MEN1KMT2A
SCHEMBL2476443 0.83 HDAC1 (0.56) HDAC1HDAC2HDAC3HDAC6
SCHEMBL2473404 0.82 HDAC1 (0.44) HDAC1HDAC2HDAC3HDAC6MEN1
SCHEMBL1065397 0.80 HDAC1 (0.62) HDAC1HDAC2NR1H4HDAC3HDAC4
SCHEMBL2471759 0.79 HDAC1 (0.61) HDAC1HDAC2NR1H4HDAC3HDAC6
SCHEMBL4392742 0.76 HDAC1 (0.56) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL3832438 0.75 HDAC1 (0.41) HDAC1MEN1LMNAKMT2A
SCHEMBL3835098 0.75 HDAC1 (0.41) HDAC1MEN1LMNAKMT2A

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