SCHEMBL528471

SCHEMBL528471

O=C(Nc1ccc(C(O)[C@H](CCn2nnc3ccccc3c2=O)C(=O)O)cc1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 4/20 0.45
MEN1 O00255 1/20 0.45
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.44
DGAT1 O75907 2/20 0.43
HDAC1 Q13547 1/20 0.42
HTT P42858 1/20 0.42
PTGDR2 Q9Y5Y4 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GPR139 Q6DWJ6 2/20 0.41
MAPT P10636 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
SCHEMBL528214 0.93 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1HSD17B10L3MBTL1
SCHEMBL528215 0.93 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1HSD17B10L3MBTL1
SCHEMBL526554 0.90 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1HSD17B10L3MBTL1
SCHEMBL528312 0.86 KMT2A (0.47) ALDH1A1KMT2AMEN1HSD17B10L3MBTL1
SCHEMBL528313 0.86 KMT2A (0.47) ALDH1A1KMT2AMEN1HSD17B10L3MBTL1
SCHEMBL527864 0.85 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1HSD17B10L3MBTL1
SCHEMBL527863 0.85 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1HSD17B10L3MBTL1
SCHEMBL527992 0.85 GPR139 (0.51) ALDH1A1KMT2AMEN1HSD17B10L3MBTL1
SCHEMBL528733 0.85 TSHR (0.53) ALDH1A1KMT2AMEN1KDM4EGPR139
SCHEMBL528732 0.85 TSHR (0.53) ALDH1A1KMT2AMEN1KDM4EGPR139

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-2598493-A1 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2013-06-05 EP disclosed
WO-2012014114-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-02-02 WO disclosed