SCHEMBL8770192

SCHEMBL8770192

N=C(N)c1ccc(C(=O)NC(=O)Nc2ccc(OCC(=O)O)c(OCC(=O)O)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.51
ITGA2B P08514 11/20 0.51
ITGB1 P05556 1/20 0.46
ITGAV P06756 1/20 0.46
ITGB5 P18084 1/20 0.46
F2 P00734 2/20 0.45
PRSS1 P07477 2/20 0.45
F10 P00742 1/20 0.45
F7 P08709 1/20 0.45
PLAU P00749 1/20 0.43
MAPT P10636 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
TMPRSS6 Q8IU80 1/20 0.40
ST14 Q9Y5Y6 1/20 0.40
MAPK1 P28482 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
SCHEMBL8770262 0.84 ITGB3 (0.58) ITGB3ITGA2BITGB1ITGAVITGB5
SCHEMBL8770224 0.84 ITGB3 (0.58) ITGB3ITGA2BITGB1ITGAVITGB5
SCHEMBL8770331 0.80 F2 (0.39) ITGB3ITGA2BITGB1F2PRSS1
SCHEMBL8904649 0.76 ITGB3 (0.53) ITGB3ITGA2BITGB1ITGAVITGB5
SCHEMBL8770327 0.76 NPC1 (0.43) ITGB1F2PRSS1TMPRSS6
SCHEMBL8770225 0.74 ITGB3 (0.49) ITGB3ITGA2BF2F10PLAU
SCHEMBL7821019 0.74 ITGB3 (0.68) ITGB3ITGA2BF2PRSS1F10
SCHEMBL8770638 0.73 NPC1 (0.51) ITGB3ITGA2BF2PRSS1F10
SCHEMBL8770227 0.73 NPC1 (0.51) ITGB3ITGA2BF2PRSS1F10
Iodide SCHEMBL7831865 0.73 ITGB3 (0.67) ITGB3ITGA2BF2PRSS1F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0632019-B1 Acylureas ZENECA LTD (GB) 1997-09-24 EP disclosed
US-5576334-A ANTICOAGULANTS ZENECA LIMITED (GB) 1996-11-19 US disclosed
EP-0632019-A1 Acylureas ZENECA LIMITED (GB) 1995-01-04 EP disclosed