SCHEMBL526249

SCHEMBL526249

COc1cccc(OC)c1C(=O)Nc1ccc(C(O)[C@H](CCn2nnc3ccccc3c2=O)C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
MEN1 O00255 2/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 2/20 0.46
GPR139 Q6DWJ6 8/20 0.45
HSD17B10 Q99714 2/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 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
SCHEMBL526250 1.00 KMT2A (0.48) KMT2AMEN1KDM4EALDH1A1GPR139
SCHEMBL527992 0.87 GPR139 (0.51) KMT2AMEN1KDM4EALDH1A1GPR139
SCHEMBL528733 0.86 TSHR (0.53) KMT2AMEN1KDM4EALDH1A1GPR139
SCHEMBL528732 0.86 TSHR (0.53) KMT2AMEN1KDM4EALDH1A1GPR139
SCHEMBL526554 0.86 ALDH1A1 (0.52) KMT2AMEN1KDM4EALDH1A1GPR139
SCHEMBL874772 0.83 KMT2A (0.47) KMT2AMEN1KDM4EALDH1A1GPR139
SCHEMBL526248 0.83 MMP1 (0.58) KMT2AMEN1KDM4EALDH1A1GPR139
SCHEMBL528312 0.83 KMT2A (0.47) KMT2AMEN1KDM4EALDH1A1GPR139
SCHEMBL528313 0.83 KMT2A (0.47) KMT2AMEN1KDM4EALDH1A1GPR139
SCHEMBL528620 0.82 ALDH1A1 (0.48) KMT2AMEN1KDM4EALDH1A1GPR139

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