SCHEMBL877515

SCHEMBL877515

COc1ccc(NC(=O)c2ccc(N(C(CCn3nnc4ccccc4c3=O)C(=O)O)S(C)(=O)=O)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
GPR139 Q6DWJ6 5/20 0.46
MEN1 O00255 2/20 0.44
LMNA P02545 3/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 4/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
MMP9 P14780 1/20 0.42
MMP13 P45452 1/20 0.42

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
SCHEMBL874931 0.93 KMT2A (0.48) KMT2AGPR139MEN1LMNAKDM4E
SCHEMBL877234 0.92 HTT (0.51) KMT2AGPR139MEN1LMNAKDM4E
SCHEMBL878345 0.91 GPR139 (0.52) KMT2AGPR139MEN1LMNAKDM4E
SCHEMBL876684 0.91 GPR139 (0.52) KMT2AGPR139MEN1LMNAKDM4E
SCHEMBL877224 0.91 KMT2A (0.45) KMT2AGPR139MEN1LMNAKDM4E
SCHEMBL874217 0.91 KMT2A (0.45) KMT2AGPR139MEN1LMNAKDM4E
SCHEMBL877266 0.90 KMT2A (0.46) KMT2AGPR139MEN1LMNAKDM4E
SCHEMBL874119 0.89 GPR139 (0.47) KMT2AGPR139MEN1LMNAKDM4E
SCHEMBL874278 0.86 KDM4E (0.43) KMT2AGPR139MEN1KDM4EALDH1A1
SCHEMBL875064 0.84 GPR139 (0.49) KMT2AGPR139MEN1KDM4EALDH1A1

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 4 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 claimed
WO-2012038944-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-03-29 WO claimed
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