SCHEMBL876636

SCHEMBL876636

CS(=O)(=O)N(c1ccccc1)C(CCn1nnc2ccccc2c1=O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 1/20 0.50
GPR139 Q6DWJ6 4/20 0.47
NPSR1 Q6W5P4 2/20 0.47
PKM P14618 1/20 0.45
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP3 P08254 1/20 0.45
MMP9 P14780 1/20 0.45
MMP13 P45452 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
LMNA P02545 2/20 0.44
TP53 P04637 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL877140 0.94 MMP2 (0.51) KMT2AKDM4EALDH1A1MEN1GPR139
SCHEMBL877531 0.94 MMP2 (0.51) KMT2AKDM4EALDH1A1MEN1GPR139
SCHEMBL877478 0.93 GPR139 (0.50) KMT2AKDM4EALDH1A1MEN1GPR139
SCHEMBL877810 0.93 GPR139 (0.50) KMT2AKDM4EALDH1A1MEN1GPR139
SCHEMBL878345 0.92 GPR139 (0.52) KMT2AKDM4EALDH1A1MEN1GPR139
SCHEMBL873961 0.92 MMP2 (0.47) KMT2AKDM4EALDH1A1MEN1GPR139
SCHEMBL876684 0.92 GPR139 (0.52) KMT2AKDM4EALDH1A1MEN1GPR139
SCHEMBL876635 0.91 MMP2 (0.52) KMT2AKDM4EALDH1A1MEN1GPR139
SCHEMBL877079 0.91 GPR139 (0.48) KMT2AKDM4EALDH1A1MEN1GPR139
SCHEMBL873795 0.91 GPR139 (0.48) KMT2AKDM4EALDH1A1MEN1GPR139

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