SCHEMBL528313

SCHEMBL528313

CCc1ccc(C(=O)Nc2ccc([C@@H](O)[C@H](CCn3nnc4ccccc4c3=O)C(=O)O)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 4/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 1/20 0.47
HDAC1 Q13547 1/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.44
RAB9A P51151 2/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
NPC1 O15118 1/20 0.42
GPR139 Q6DWJ6 2/20 0.42
NPSR1 Q6W5P4 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
SCHEMBL528312 1.00 KMT2A (0.47) KMT2AMEN1ALDH1A1HSD17B10L3MBTL1
SCHEMBL526554 0.92 ALDH1A1 (0.52) KMT2AMEN1ALDH1A1HSD17B10L3MBTL1
SCHEMBL527992 0.89 GPR139 (0.51) KMT2AMEN1ALDH1A1HSD17B10L3MBTL1
SCHEMBL528471 0.86 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1HSD17B10L3MBTL1
SCHEMBL528378 0.84 KMT2A (0.40) KMT2AMEN1ALDH1A1HSD17B10L3MBTL1
SCHEMBL528215 0.84 ALDH1A1 (0.44) KMT2AMEN1ALDH1A1HSD17B10L3MBTL1
SCHEMBL528733 0.84 TSHR (0.53) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL528214 0.84 ALDH1A1 (0.44) KMT2AMEN1ALDH1A1HSD17B10L3MBTL1
SCHEMBL528732 0.84 TSHR (0.53) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL527882 0.84 KMT2A (0.50) KMT2AMEN1ALDH1A1HSD17B10L3MBTL1

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