SCHEMBL5553485

SCHEMBL5553485

Cc1cc(N)c2cc(OC(=O)NC3CCC(NC(=O)c4ccc5nc(N)ccc5c4)CC3)ccc2n1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 5/20 0.43
SMYD3 Q9H7B4 4/20 0.43
MAPK14 Q16539 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL3241675 0.90 SMYD3 (0.52) SMYD3MAPK14
SCHEMBL5553413 0.84 LMNA (0.58) SMYD3ALDH1A1HSD17B10
SCHEMBL5559915 0.83 MMP9 (0.49)
SCHEMBL3238605 0.78 SMYD3 (0.50) SMYD3MAPK14
SCHEMBL5559054 0.78 MMP9 (0.46)
SCHEMBL3243486 0.77 SMYD3 (0.68) SMYD3MAPK14
SCHEMBL3242010 0.74 PLAU (0.58)
SCHEMBL3245686 0.72 LMNA (0.68) SMYD3MAPK14ALDH1A1HSD17B10
SCHEMBL5559022 0.71 MMP9 (0.52)
SCHEMBL3244706 0.70 MMP9 (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1509516-B1 INHIBITORS OF THE GPIB -VWF INTERACTION, THEIR PREPARATION AND USE SANOFI AVENTIS DEUTSCHLAND (DE) 2007-01-31 EP claimed