SCHEMBL874119

SCHEMBL874119

CS(=O)(=O)N(c1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1)C(CCn1nnc2ccccc2c1=O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 5/20 0.47
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CTNNB1 P35222 1/20 0.43
TCF7L2 Q9NQB0 1/20 0.43
HTT P42858 1/20 0.41
HDAC1 Q13547 1/20 0.40
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL874931 0.93 KMT2A (0.48) GPR139KMT2AMEN1ALDH1A1HSD17B10
SCHEMBL877224 0.92 KMT2A (0.45) GPR139KMT2AMEN1ALDH1A1HSD17B10
SCHEMBL877234 0.92 HTT (0.51) GPR139KMT2AMEN1ALDH1A1HSD17B10
SCHEMBL874217 0.91 KMT2A (0.45) GPR139KMT2AMEN1ALDH1A1HSD17B10
SCHEMBL877266 0.90 KMT2A (0.46) GPR139KMT2AMEN1ALDH1A1HSD17B10
SCHEMBL877733 0.90 GPR139 (0.50) GPR139KMT2AMEN1ALDH1A1KDM4E
SCHEMBL877515 0.89 KMT2A (0.47) GPR139KMT2AMEN1ALDH1A1HSD17B10
SCHEMBL874278 0.87 KDM4E (0.43) GPR139KMT2AMEN1ALDH1A1HSD17B10
SCHEMBL876636 0.83 KMT2A (0.52) GPR139KMT2AMEN1ALDH1A1HSD17B10
SCHEMBL877629 0.82 MMP2 (0.45) GPR139KMT2AMEN1ALDH1A1KDM4E

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