SCHEMBL874877

SCHEMBL874877

COc1ccc(-c2ccc(S(=O)(=O)C(CCn3nnc4ccc(C)cc4c3=O)C(=O)O)c(C)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 11/20 0.49
MMP2 P08253 4/20 0.43
MMP9 P14780 4/20 0.43
MMP1 P03956 2/20 0.40
MMP3 P08254 2/20 0.40
MMP13 P45452 2/20 0.40
NPSR1 Q6W5P4 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KMT2A Q03164 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
SCHEMBL878210 0.90 GPR139 (0.44) GPR139MMP2MMP9MMP1MMP3
SCHEMBL877283 0.90 MMP2 (0.54) GPR139MMP2MMP9MMP1MMP3
SCHEMBL877110 0.85 MMP2 (0.45) GPR139MMP2MMP9MMP1MMP3
SCHEMBL15735146 0.85 MMP2 (0.54) GPR139MMP2MMP9MMP1MMP3
SCHEMBL877641 0.84 MMP2 (0.49) GPR139MMP2MMP9MMP1MMP3
SCHEMBL875006 0.84 MMP2 (0.56) GPR139MMP2MMP9MMP1MMP3
SCHEMBL12472667 0.83 GPR139 (0.44) GPR139MMP2MMP9MMP1MMP3
SCHEMBL876941 0.82 MMP2 (0.47) GPR139MMP2MMP9MMP1MMP3
SCHEMBL876841 0.82 MMP2 (0.46) GPR139MMP2MMP9MMP3MMP13
SCHEMBL874990 0.81 MMP2 (0.44) GPR139MMP2MMP9MMP1MMP3

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-2619185-A1 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2013-07-31 EP claimed
WO-2012038942-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-03-29 WO claimed