SCHEMBL5314092

SCHEMBL5314092

COC(=O)C(C#N)CC(=O)c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.43
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.39
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38

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
SCHEMBL9582898 0.82 L3MBTL1 (0.57) KMT2AL3MBTL1
SCHEMBL1278800 0.81 KMT2A (0.64) KMT2AL3MBTL1
SCHEMBL5310617 0.80 HAO1 (0.43) KMT2AL3MBTL1MMP2MMP9MMP8
SCHEMBL5315001 0.78 GSR (0.46) GSRKMT2AL3MBTL1MMP2MMP9
SCHEMBL1278464 0.74 ALDH1A1 (0.51) KMT2A
SCHEMBL14518760 0.73 GSR (0.56) GSRMMP2MMP9MMP8
SCHEMBL10541229 0.71 GSR (0.54) GSRKMT2AMMP2MMP9MMP8
SCHEMBL4066310 0.71 GSR (0.54) GSRMMP2MMP9MMP8
SCHEMBL1156537 0.71 HDAC3 (0.51) KMT2AL3MBTL1
SCHEMBL5747327 0.70 HPGD (0.46) KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0799823-B1 1,2-Diphenylpyrrole derivatives, their preparation and their therapeutic uses DAIICHI SANKYO CO LTD (JP) 2007-10-31 EP disclosed
US-RE39420-E1 1,2-Diphenylpyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2006-12-05 US disclosed
US-5908858-A OSTEOPOROSIS; LEUKOTRIENE INHIBITOR SANKYO COMPANY, LIMITED (JP) 1999-06-01 US disclosed
EP-0799823-A1 1,2-Diphenylpyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY LIMITED (JP) 1997-10-08 EP disclosed