SCHEMBL5314276

SCHEMBL5314276

COc1ccc(NC(C#N)c2ccc(S(C)(=O)=O)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.76
GAA P10253 3/20 0.76
SMN1; SMN2 Q16637 2/20 0.51
GSK3B P49841 1/20 0.45
PTGS2 P35354 3/20 0.44
LMNA P02545 3/20 0.44
SGMS2 Q8NHU3 1/20 0.44
MAPK1 P28482 1/20 0.43
PKM P14618 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
PTGS1 P23219 2/20 0.43
FAAH O00519 1/20 0.42
MGLL Q99685 1/20 0.42
MAPT P10636 1/20 0.40

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
SCHEMBL5311525 1.00 ALDH1A1 (0.76) ALDH1A1GAASMN1; SMN2GSK3BPTGS2
SCHEMBL5311098 0.88 ALDH1A1 (0.74) ALDH1A1GAASMN1; SMN2PTGS2CA12
SCHEMBL5314490 0.88 ALDH1A1 (0.74) ALDH1A1GAASMN1; SMN2PTGS2CA12
SCHEMBL30731679 0.87 ALDH1A1 (1.00) ALDH1A1GAASMN1; SMN2LMNASGMS2
SCHEMBL5310555 0.86 ALDH1A1 (0.55) ALDH1A1GAASMN1; SMN2LMNAMAPT
SCHEMBL5311632 0.85 ALDH1A1 (0.61) ALDH1A1GAASMN1; SMN2PTGS2LMNA
SCHEMBL30731691 0.80 ALDH1A1 (0.85) ALDH1A1GAASMN1; SMN2LMNASGMS2
SCHEMBL30731742 0.80 ALDH1A1 (0.85) ALDH1A1GAASMN1; SMN2PTGS2LMNA
SCHEMBL27462797 0.80 ALDH1A1 (0.47) ALDH1A1GAASMN1; SMN2SGMS2CA12
SCHEMBL28304646 0.80 ALDH1A1 (1.00) ALDH1A1GAASMN1; SMN2LMNASGMS2

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