SCHEMBL874812

SCHEMBL874812

Cc1ccc2c(=O)n(CCC(C(=O)O)N(c3ccc(Cl)cc3)S(C)(=O)=O)nnc2c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 13/20 0.46
MMP2 P08253 3/20 0.37
MMP3 P08254 3/20 0.37
MMP9 P14780 3/20 0.37
MMP13 P45452 3/20 0.37
MMP1 P03956 2/20 0.37
EIF4EBP1 Q13541 1/20 0.37
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL873568 0.97 GPR139 (0.44) GPR139MMP2MMP3MMP9MMP13
SCHEMBL877441 0.91 GPR139 (0.44) GPR139MMP2MMP3MMP9MMP13
SCHEMBL877880 0.90 GPR139 (0.44) GPR139KDM4EKMT2ANPC1RAB9A
SCHEMBL877478 0.88 GPR139 (0.50) GPR139MMP2MMP3MMP9MMP13
SCHEMBL874766 0.86 GPR139 (0.39) GPR139MMP2MMP3MMP9MMP13
SCHEMBL876635 0.86 MMP2 (0.52) GPR139MMP2MMP3MMP9MMP13
SCHEMBL877971 0.86 MMP2 (0.52) GPR139MMP2MMP3MMP9MMP13
SCHEMBL877229 0.84 GPR139 (0.51) GPR139MMP2MMP9SMN1; SMN2
SCHEMBL873796 0.83 GPR139 (0.48) GPR139MMP2MMP3MMP9MMP13
SCHEMBL874810 0.83 GPR139 (0.52) GPR139KMT2ASMN1; SMN2

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