SCHEMBL877266

SCHEMBL877266

CC(C)c1ccc(NC(=O)c2ccc(N(C(CCn3nnc4ccccc4c3=O)C(=O)O)S(C)(=O)=O)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 3/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GPR139 Q6DWJ6 9/20 0.43
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL874931 0.94 KMT2A (0.48) KMT2AKDM4EMEN1ALDH1A1HSD17B10
SCHEMBL874217 0.93 KMT2A (0.45) KMT2AKDM4EMEN1ALDH1A1HSD17B10
SCHEMBL877234 0.92 HTT (0.51) KMT2AKDM4EMEN1ALDH1A1HSD17B10
SCHEMBL877224 0.92 KMT2A (0.45) KMT2AKDM4EMEN1ALDH1A1HSD17B10
SCHEMBL877515 0.90 KMT2A (0.47) KMT2AKDM4EMEN1ALDH1A1HSD17B10
SCHEMBL874119 0.90 GPR139 (0.47) KMT2AKDM4EMEN1ALDH1A1HSD17B10
SCHEMBL877385 0.89 KMT2A (0.47) KMT2AKDM4EMEN1ALDH1A1GPR139
SCHEMBL877200 0.89 KMT2A (0.47) KMT2AKDM4EMEN1ALDH1A1GPR139
SCHEMBL874278 0.86 KDM4E (0.43) KMT2AKDM4EMEN1ALDH1A1HSD17B10
SCHEMBL876636 0.84 KMT2A (0.52) KMT2AKDM4EMEN1ALDH1A1HSD17B10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2619179-A1 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2013-07-31 EP claimed
WO-2012038944-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-03-29 WO claimed
EP-2619179-A1 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2013-07-31 EP disclosed
WO-2012038944-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-03-29 WO disclosed