SCHEMBL877960

SCHEMBL877960

COc1ccc(-c2ccc(N([C@H](CCn3nnc4ccc(F)cc4c3=O)C(=O)O)S(C)(=O)=O)cc2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 10/20 0.42
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
BRD4 O60885 2/20 0.34
PI4KA P42356 1/20 0.34
PIK3CG P48736 1/20 0.34
NR1H4 Q96RI1 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
FFAR1 O14842 1/20 0.33

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
SCHEMBL877710 0.93 GPR139 (0.41) GPR139MMP1MMP2MMP3MMP9
SCHEMBL877066 0.92 MMP1 (0.44) GPR139MMP1MMP2MMP3MMP9
SCHEMBL874055 0.92 MMP1 (0.44) GPR139MMP1MMP2MMP3MMP9
SCHEMBL877310 0.92 MMP1 (0.44) GPR139MMP1MMP2MMP3MMP9
SCHEMBL876807 0.89 GPR139 (0.42) GPR139MMP1MMP2MMP3MMP9
SCHEMBL877097 0.88 EIF4EBP1 (0.39) GPR139MMP1MMP2MMP3MMP9
SCHEMBL878146 0.88 GPR139 (0.41) GPR139MMP1MMP2MMP3MMP9
SCHEMBL876683 0.87 GPR139 (0.40) GPR139MMP1MMP2MMP3MMP9
SCHEMBL877187 0.85 GPR139 (0.41) GPR139MMP1MMP2MMP3MMP9
SCHEMBL877862 0.84 KMT2A (0.47) GPR139MMP1MMP2MMP3MMP9

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