SCHEMBL877862

SCHEMBL877862

COc1ccc(-c2ccc(N([C@H](CCn3nnc4ccccc4c3=O)C(=O)O)S(C)(=O)=O)cc2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.47
MMP1 P03956 3/20 0.44
MMP2 P08253 3/20 0.44
MMP3 P08254 3/20 0.44
MMP9 P14780 3/20 0.44
MMP13 P45452 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MAPT P10636 1/20 0.43
EIF4EBP1 Q13541 1/20 0.42
HPGD P15428 1/20 0.42
GPR139 Q6DWJ6 2/20 0.42
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 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
SCHEMBL877196 0.94 MMP1 (0.43) KMT2AMEN1MMP1MMP2MMP3
SCHEMBL877066 0.93 MMP1 (0.44) KMT2AMEN1MMP1MMP2MMP3
SCHEMBL877310 0.93 MMP1 (0.44) KMT2AMEN1MMP1MMP2MMP3
SCHEMBL874055 0.93 MMP1 (0.44) KMT2AMEN1MMP1MMP2MMP3
SCHEMBL877531 0.90 MMP2 (0.51) KMT2AMEN1MMP1MMP2MMP3
SCHEMBL877140 0.90 MMP2 (0.51) KMT2AMEN1MMP1MMP2MMP3
SCHEMBL877287 0.90 MMP1 (0.47) KMT2AMEN1MMP1MMP2MMP3
SCHEMBL877837 0.90 MMP1 (0.47) KMT2AMEN1MMP1MMP2MMP3
SCHEMBL875064 0.88 GPR139 (0.49) KMT2AMEN1MMP1MMP2MMP3
SCHEMBL873961 0.87 MMP2 (0.47) KMT2AMEN1MMP1MMP2MMP3

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