SCHEMBL877837

SCHEMBL877837

COc1cccc(-c2ccc(N(C(CCn3nnc4ccccc4c3=O)C(=O)O)S(C)(=O)=O)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.47
MMP2 P08253 3/20 0.47
MMP3 P08254 3/20 0.47
MMP9 P14780 3/20 0.47
MMP13 P45452 3/20 0.47
TSHR P16473 2/20 0.47
GPR139 Q6DWJ6 5/20 0.45
NPSR1 Q6W5P4 2/20 0.43
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HPGD P15428 1/20 0.41
DHODH Q02127 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL877287 1.00 MMP1 (0.47) MMP1MMP2MMP3MMP9MMP13
SCHEMBL877140 0.91 MMP2 (0.51) MMP1MMP2MMP3MMP9MMP13
SCHEMBL877531 0.91 MMP2 (0.51) MMP1MMP2MMP3MMP9MMP13
SCHEMBL878345 0.90 GPR139 (0.52) MMP1MMP2MMP3MMP9MMP13
SCHEMBL876684 0.90 GPR139 (0.52) MMP1MMP2MMP3MMP9MMP13
SCHEMBL877862 0.90 KMT2A (0.47) MMP1MMP2MMP3MMP9MMP13
SCHEMBL875064 0.89 GPR139 (0.49) MMP1MMP2MMP3MMP9MMP13
SCHEMBL877196 0.88 MMP1 (0.43) MMP1MMP2MMP3MMP9MMP13
SCHEMBL877066 0.88 MMP1 (0.44) MMP1MMP2MMP3MMP9MMP13
SCHEMBL877310 0.88 MMP1 (0.44) MMP1MMP2MMP3MMP9MMP13

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