SCHEMBL877385

SCHEMBL877385

CC(C)c1ccc(-c2ccc(N([C@H](CCn3nnc4ccccc4c3=O)C(=O)O)S(C)(=O)=O)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GPR139 Q6DWJ6 11/20 0.46
MMP2 P08253 3/20 0.45
MMP3 P08254 3/20 0.45
MMP9 P14780 3/20 0.45
MMP13 P45452 3/20 0.45
MMP1 P03956 2/20 0.45
ALDH1A1 P00352 2/20 0.44
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL877200 1.00 KMT2A (0.47) KMT2AKDM4EGPR139MMP2MMP3
SCHEMBL877140 0.94 MMP2 (0.51) KMT2AKDM4EGPR139MMP2MMP3
SCHEMBL877531 0.94 MMP2 (0.51) KMT2AKDM4EGPR139MMP2MMP3
SCHEMBL877971 0.92 MMP2 (0.52) KMT2AKDM4EGPR139MMP2MMP3
SCHEMBL876635 0.92 MMP2 (0.52) KMT2AKDM4EGPR139MMP2MMP3
SCHEMBL873961 0.91 MMP2 (0.47) KMT2AKDM4EGPR139MMP2MMP3
SCHEMBL876584 0.91 MMP2 (0.44) KMT2AKDM4EGPR139MMP2MMP3
SCHEMBL877576 0.91 MMP2 (0.44) KMT2AKDM4EGPR139MMP2MMP3
SCHEMBL877199 0.91 MMP2 (0.44) KMT2AKDM4EGPR139MMP2MMP3
SCHEMBL877079 0.90 GPR139 (0.48) KMT2AKDM4EGPR139MMP2MMP3

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 2 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 disclosed
WO-2012038944-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-03-29 WO disclosed