SCHEMBL877234

SCHEMBL877234

Cc1ccc(NC(=O)c2ccc(N(C(CCn3nnc4ccccc4c3=O)C(=O)O)S(C)(=O)=O)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.51
KMT2A Q03164 5/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 2/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 1/20 0.45
GPR139 Q6DWJ6 4/20 0.44
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
HDAC1 Q13547 1/20 0.41

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 0.95 KMT2A (0.48) HTTKMT2AMEN1ALDH1A1HSD17B10
SCHEMBL877224 0.93 KMT2A (0.45) HTTKMT2AMEN1ALDH1A1HSD17B10
SCHEMBL874217 0.93 KMT2A (0.45) HTTKMT2AMEN1ALDH1A1HSD17B10
SCHEMBL877266 0.92 KMT2A (0.46) HTTKMT2AMEN1ALDH1A1HSD17B10
SCHEMBL877515 0.92 KMT2A (0.47) KMT2AMEN1ALDH1A1HSD17B10L3MBTL1
SCHEMBL874119 0.92 GPR139 (0.47) HTTKMT2AMEN1ALDH1A1HSD17B10
SCHEMBL874278 0.88 KDM4E (0.43) KMT2AMEN1ALDH1A1HSD17B10L3MBTL1
SCHEMBL874163 0.86 GPR139 (0.45) HTTKMT2AMEN1ALDH1A1HSD17B10
SCHEMBL876636 0.85 KMT2A (0.52) KMT2AMEN1ALDH1A1HSD17B10KDM4E
SCHEMBL877140 0.84 MMP2 (0.51) KMT2AMEN1ALDH1A1HSD17B10KDM4E

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