SCHEMBL874247

SCHEMBL874247

CCc1ccc(N(C(CCn2nnc3ccc(OC)cc3c2=O)C(=O)O)S(C)(=O)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 14/20 0.44
HPGD P15428 1/20 0.39
TSHR P16473 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KMT2A Q03164 1/20 0.37
HTT P42858 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL873796 0.91 GPR139 (0.48) GPR139HPGDNPSR1KMT2AALDH1A1
SCHEMBL876799 0.89 GPR139 (0.51) GPR139NPSR1ALDH1A1
SCHEMBL874810 0.87 GPR139 (0.52) GPR139HPGDTSHRNPSR1KMT2A
SCHEMBL878345 0.85 GPR139 (0.52) GPR139HPGDTSHRNPSR1KMT2A
SCHEMBL876684 0.85 GPR139 (0.52) GPR139HPGDTSHRNPSR1KMT2A
SCHEMBL877706 0.84 MMP2 (0.45) GPR139HPGDNPSR1KMT2AALDH1A1
SCHEMBL877880 0.84 GPR139 (0.44) GPR139HPGDNPSR1KMT2AALDH1A1
SCHEMBL877229 0.83 GPR139 (0.51) GPR139NPSR1ALDH1A1
SCHEMBL875064 0.82 GPR139 (0.49) GPR139HPGDTSHRNPSR1KMT2A
SCHEMBL877287 0.81 MMP1 (0.47) GPR139HPGDTSHRNPSR1KMT2A

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