SCHEMBL8770302

SCHEMBL8770302

CC(C)OC(=O)COc1ccc(NC(=O)NC(=O)c2ccc(C(=N)N)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.49
F10 P00742 4/20 0.49
PLAU P00749 2/20 0.49
PLAT P00750 2/20 0.49
NPC1 O15118 3/20 0.46
RAB9A P51151 2/20 0.46
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 1/20 0.45
F7 P08709 5/20 0.45
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
XDH P47989 1/20 0.42
KLK1 P06870 1/20 0.42

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
SCHEMBL8770283 0.89 NPC1 (0.46) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL8770638 0.89 NPC1 (0.51) F2F10PLAUPLATNPC1
SCHEMBL8770227 0.89 NPC1 (0.51) F2F10PLAUPLATNPC1
SCHEMBL8770242 0.86 EPHX2 (0.51) F2F10PLAUPLATNPC1
SCHEMBL8770417 0.85 NPC1 (0.44) F2F10PLAUPLATNPC1
SCHEMBL8770375 0.85 RAB9A (0.48) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL8770184 0.85 ITGB3 (0.43) F2F10PLAUPLATNPC1
SCHEMBL8770262 0.84 ITGB3 (0.58) F2F10PLAUPLATNPC1
SCHEMBL8770224 0.84 ITGB3 (0.58) F2F10PLAUPLATNPC1
SCHEMBL8770226 0.77 NPC1 (0.51) F2F10PLAUPLATNPC1

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