SCHEMBL877810

SCHEMBL877810

CS(=O)(=O)N(c1ccc(Br)cc1)C(CCn1nnc2ccccc2c1=O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 3/20 0.50
KMT2A Q03164 3/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 2/20 0.47
HTT P42858 1/20 0.47
ALDH1A1 P00352 3/20 0.46
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP3 P08254 1/20 0.44
MMP9 P14780 1/20 0.44
MMP13 P45452 1/20 0.44
NPSR1 Q6W5P4 2/20 0.44
PKM P14618 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL876636 0.93 KMT2A (0.52) GPR139KMT2AKDM4EMEN1ALDH1A1
SCHEMBL877531 0.91 MMP2 (0.51) GPR139KMT2AKDM4EMEN1ALDH1A1
SCHEMBL877140 0.91 MMP2 (0.51) GPR139KMT2AKDM4EMEN1ALDH1A1
SCHEMBL877478 0.91 GPR139 (0.50) GPR139KMT2AKDM4EMEN1ALDH1A1
SCHEMBL873961 0.89 MMP2 (0.47) GPR139KMT2AKDM4EMEN1ALDH1A1
SCHEMBL876684 0.89 GPR139 (0.52) GPR139KMT2AKDM4EMEN1ALDH1A1
SCHEMBL878345 0.89 GPR139 (0.52) GPR139KMT2AKDM4EMEN1ALDH1A1
SCHEMBL877079 0.88 GPR139 (0.48) GPR139KMT2AKDM4EMEN1ALDH1A1
SCHEMBL876635 0.88 MMP2 (0.52) GPR139KMT2AKDM4EMEN1ALDH1A1
SCHEMBL873795 0.88 GPR139 (0.48) GPR139KMT2AKDM4EMEN1ALDH1A1

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