SCHEMBL874810

SCHEMBL874810

COc1ccc(N(C(CCn2nnc3cc(OC)ccc3c2=O)C(=O)O)S(C)(=O)=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 15/20 0.52
NPSR1 Q6W5P4 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.38

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 0.93 GPR139 (0.51) GPR139NPSR1ALDH1A1SMN1; SMN2
SCHEMBL876684 0.91 GPR139 (0.52) GPR139NPSR1KMT2AALDH1A1SMN1; SMN2
SCHEMBL878345 0.91 GPR139 (0.52) GPR139NPSR1KMT2AALDH1A1SMN1; SMN2
SCHEMBL873794 0.90 GPR139 (0.42) GPR139NPSR1ALDH1A1SMN1; SMN2
SCHEMBL876807 0.89 GPR139 (0.42) GPR139NPSR1KMT2AALDH1A1SMN1; SMN2
SCHEMBL873796 0.88 GPR139 (0.48) GPR139NPSR1KMT2AALDH1A1HPGD
SCHEMBL874247 0.87 GPR139 (0.44) GPR139NPSR1KMT2AALDH1A1HPGD
SCHEMBL876799 0.86 GPR139 (0.51) GPR139NPSR1ALDH1A1
SCHEMBL875064 0.85 GPR139 (0.49) GPR139NPSR1KMT2AALDH1A1SMN1; SMN2
SCHEMBL877287 0.85 MMP1 (0.47) GPR139NPSR1KMT2AALDH1A1HPGD

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