SCHEMBL877103

SCHEMBL877103

CS(=O)(=O)N(c1ccc(-c2cccnc2)cc1)C(CCn1nnc2ccccc2c1=O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.46
MMP3 P08254 4/20 0.46
MMP9 P14780 4/20 0.46
MMP13 P45452 4/20 0.46
MMP1 P03956 3/20 0.46
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 3/20 0.43
ALDH1A1 P00352 5/20 0.41
GAA P10253 2/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GPR139 Q6DWJ6 3/20 0.40

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
SCHEMBL877140 0.93 MMP2 (0.51) MMP2MMP3MMP9MMP13MMP1
SCHEMBL877531 0.93 MMP2 (0.51) MMP2MMP3MMP9MMP13MMP1
SCHEMBL873961 0.92 MMP2 (0.47) MMP2MMP3MMP9MMP13MMP1
SCHEMBL874995 0.92 MMP2 (0.45) MMP2MMP3MMP9MMP13MMP1
SCHEMBL876874 0.92 MMP2 (0.45) MMP2MMP3MMP9MMP13MMP1
SCHEMBL877040 0.90 MMP2 (0.46) MMP2MMP3MMP9MMP13MMP1
SCHEMBL876635 0.88 MMP2 (0.52) MMP2MMP3MMP9MMP13MMP1
SCHEMBL877079 0.88 GPR139 (0.48) MMP2MMP3MMP9MMP13MMP1
SCHEMBL873795 0.88 GPR139 (0.48) MMP2MMP3MMP9MMP13MMP1
SCHEMBL877971 0.88 MMP2 (0.52) MMP2MMP3MMP9MMP13MMP1

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