SCHEMBL527992

SCHEMBL527992

COc1ccc(C(=O)Nc2ccc(C(O)[C@H](CCn3nnc4ccccc4c3=O)C(=O)O)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 5/20 0.51
KMT2A Q03164 5/20 0.51
MEN1 O00255 2/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 1/20 0.47
ALDH1A1 P00352 3/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 2/20 0.46
HPGD P15428 1/20 0.46
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP3 P08254 1/20 0.45
MMP9 P14780 1/20 0.45
MMP13 P45452 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL526554 0.92 ALDH1A1 (0.52) GPR139KMT2AMEN1KDM4EALDH1A1
SCHEMBL528732 0.91 TSHR (0.53) GPR139KMT2AMEN1KDM4ELMNA
SCHEMBL528733 0.91 TSHR (0.53) GPR139KMT2AMEN1KDM4ELMNA
SCHEMBL528313 0.89 KMT2A (0.47) GPR139KMT2AMEN1KDM4ELMNA
SCHEMBL528312 0.89 KMT2A (0.47) GPR139KMT2AMEN1KDM4ELMNA
SCHEMBL12505324 0.89 HPGD (0.53) GPR139KMT2AMEN1KDM4ELMNA
SCHEMBL526340 0.88 GPR139 (0.55) GPR139KMT2AMEN1KDM4ELMNA
SCHEMBL526341 0.88 GPR139 (0.55) GPR139KMT2AMEN1KDM4ELMNA
SCHEMBL526249 0.87 KMT2A (0.48) GPR139KMT2AMEN1KDM4EALDH1A1
SCHEMBL526250 0.87 KMT2A (0.48) GPR139KMT2AMEN1KDM4EALDH1A1

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