SCHEMBL528905

SCHEMBL528905

O=C1SC[C@H](Cc2ccccc2)N1C(=O)[C@@H](CCn1nnc2ccccc2c1=O)[C@H](O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
GPR139 Q6DWJ6 3/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 1/20 0.34

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
SCHEMBL528906 1.00 ALDH1A1 (0.37) ALDH1A1KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL528115 0.89 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL528451 0.89 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL528034 0.85 MMP2 (0.44) ALDH1A1KMT2AMEN1SMN1; SMN2MMP1
SCHEMBL528033 0.85 MMP2 (0.44) ALDH1A1KMT2AMEN1SMN1; SMN2MMP1
SCHEMBL531077 0.79 GPR139 (0.40) ALDH1A1KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL531078 0.79 GPR139 (0.40) ALDH1A1KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL1843672 0.76 KMT2A (0.48) ALDH1A1KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL15377187 0.76 KMT2A (0.48) ALDH1A1KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL4213277 0.74 KMT2A (0.46) ALDH1A1KMT2AMEN1KDM4ENPSR1

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