SCHEMBL8770262

SCHEMBL8770262

N=C(N)c1ccc(C(=O)NC(=O)Nc2ccc(OCC(=O)O)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.58
ITGA2B P08514 5/20 0.58
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
ALDH1A1 P00352 2/20 0.54
NPC1 O15118 3/20 0.50
RAB9A P51151 2/20 0.50
ITGB1 P05556 1/20 0.48
ITGAV P06756 1/20 0.48
ITGB5 P18084 1/20 0.48
F7 P08709 2/20 0.47
F2 P00734 3/20 0.47
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
TMPRSS6 Q8IU80 1/20 0.47
ST14 Q9Y5Y6 1/20 0.47
PLAU P00749 2/20 0.46
F10 P00742 1/20 0.46
PLAT P00750 1/20 0.46

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
SCHEMBL8770224 1.00 ITGB3 (0.58) ITGB3ITGA2BKMT2AMEN1ALDH1A1
SCHEMBL8770227 0.88 NPC1 (0.51) ITGB3ITGA2BKMT2AMEN1ALDH1A1
SCHEMBL8770638 0.88 NPC1 (0.51) ITGB3ITGA2BKMT2AMEN1ALDH1A1
SCHEMBL8770251 0.86 P4HTM (0.50) ITGB3ITGA2BKMT2AMEN1ALDH1A1
SCHEMBL8770242 0.85 EPHX2 (0.51) ITGB3ITGA2BALDH1A1NPC1RAB9A
SCHEMBL8770192 0.84 ITGB3 (0.51) ITGB3ITGA2BITGB1ITGAVITGB5
SCHEMBL8770302 0.84 F2 (0.49) ITGB3ITGA2BALDH1A1NPC1RAB9A
SCHEMBL8770417 0.84 NPC1 (0.44) ITGB3ITGA2BNPC1RAB9AF7
SCHEMBL7282886 0.83 ITGB3 (0.65) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL7122825 0.82 ITGB3 (0.75) ITGB3ITGA2BF2PRSS1PRSS2

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

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