SCHEMBL877224

SCHEMBL877224

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
MEN1 O00255 1/20 0.45
GPR139 Q6DWJ6 1/20 0.45
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 2/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
THRB P10828 1/20 0.42
PKM P14618 1/20 0.42
BLM P54132 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTT P42858 1/20 0.42
PTGER4 P35408 1/20 0.41
CTNNB1 P35222 5/20 0.41
TCF7L2 Q9NQB0 5/20 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 0.94 KMT2A (0.48) KMT2AMEN1GPR139ALDH1A1KDM4E
SCHEMBL877234 0.93 HTT (0.51) KMT2AMEN1GPR139ALDH1A1KDM4E
SCHEMBL874119 0.92 GPR139 (0.47) KMT2AMEN1GPR139ALDH1A1KDM4E
SCHEMBL874217 0.92 KMT2A (0.45) KMT2AMEN1GPR139ALDH1A1KDM4E
SCHEMBL874278 0.92 KDM4E (0.43) KMT2AMEN1GPR139ALDH1A1KDM4E
SCHEMBL877266 0.92 KMT2A (0.46) KMT2AMEN1GPR139ALDH1A1KDM4E
SCHEMBL877515 0.91 KMT2A (0.47) KMT2AMEN1GPR139ALDH1A1KDM4E
SCHEMBL877079 0.89 GPR139 (0.48) KMT2AMEN1GPR139ALDH1A1KDM4E
SCHEMBL873795 0.89 GPR139 (0.48) KMT2AMEN1GPR139ALDH1A1KDM4E
SCHEMBL876636 0.85 KMT2A (0.52) KMT2AMEN1GPR139ALDH1A1KDM4E

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