SCHEMBL877196

SCHEMBL877196

COc1ccc(-c2ccc(N([C@H](CCn3nnc4ccccc4c3=O)C(=O)O)S(C)(=O)=O)cc2)cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.43
MMP2 P08253 3/20 0.43
MMP3 P08254 3/20 0.43
MMP9 P14780 3/20 0.43
MMP13 P45452 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
KMT2A Q03164 3/20 0.43
GPR139 Q6DWJ6 3/20 0.43
MEN1 O00255 1/20 0.43
EIF4EBP1 Q13541 1/20 0.41
HPGD P15428 1/20 0.41
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 1/20 0.40
ALDH1A1 P00352 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL877862 0.94 KMT2A (0.47) MMP1MMP2MMP3MMP9MMP13
SCHEMBL877066 0.92 MMP1 (0.44) MMP1MMP2MMP3MMP9MMP13
SCHEMBL874055 0.92 MMP1 (0.44) MMP1MMP2MMP3MMP9MMP13
SCHEMBL877310 0.92 MMP1 (0.44) MMP1MMP2MMP3MMP9MMP13
SCHEMBL874190 0.89 MMP2 (0.42) MMP1MMP2MMP3MMP9MMP13
SCHEMBL877531 0.88 MMP2 (0.51) MMP1MMP2MMP3MMP9MMP13
SCHEMBL877140 0.88 MMP2 (0.51) MMP1MMP2MMP3MMP9MMP13
SCHEMBL877287 0.88 MMP1 (0.47) MMP1MMP2MMP3MMP9MMP13
SCHEMBL877837 0.88 MMP1 (0.47) MMP1MMP2MMP3MMP9MMP13
SCHEMBL874575 0.87 MMP2 (0.42) 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