SCHEMBL876956

SCHEMBL876956

Cc1ccc(Oc2ccc(N(C(CCn3nnc4cc(C(F)(F)F)ccc4c3=O)C(=O)O)S(C)(=O)=O)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 14/20 0.43
MMP2 P08253 4/20 0.36
MMP9 P14780 4/20 0.36
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL877229 0.89 GPR139 (0.51) GPR139MMP2MMP9SMN1; SMN2
SCHEMBL874163 0.86 GPR139 (0.45) GPR139MMP2MMP9LMNAHTT
SCHEMBL874766 0.86 GPR139 (0.39) GPR139MMP2MMP9LMNAHTT
SCHEMBL876799 0.84 GPR139 (0.51) GPR139MMP2MMP9
SCHEMBL876621 0.83 GPR139 (0.40) GPR139MMP2MMP9
SCHEMBL876683 0.83 GPR139 (0.40) GPR139MMP2MMP9
SCHEMBL874810 0.82 GPR139 (0.52) GPR139SMN1; SMN2
SCHEMBL874812 0.81 GPR139 (0.46) GPR139MMP2MMP9SMN1; SMN2
SCHEMBL877733 0.81 GPR139 (0.50) GPR139MMP2MMP9
SCHEMBL877880 0.81 GPR139 (0.44) GPR139LMNASMN1; 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