SCHEMBL8770283

SCHEMBL8770283

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 6/20 0.45
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 2/20 0.44
CYP1A2 P05177 1/20 0.44
KMT2A Q03164 6/20 0.43
MEN1 O00255 3/20 0.43
XDH P47989 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
POLB P06746 1/20 0.41
NAMPT P43490 1/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 2/20 0.41
EPHX2 P34913 1/20 0.41

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
SCHEMBL8770302 0.89 F2 (0.49) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL8770183 0.89 NPC1 (0.51) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL8770197 0.89 NPC1 (0.51) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL8770627 0.86 EPHX2 (0.51) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL8770257 0.85 NPC1 (0.44) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL8770375 0.85 RAB9A (0.48) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL8770335 0.85 MCHR1 (0.41) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL8770638 0.77 NPC1 (0.51) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL8770227 0.77 NPC1 (0.51) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL8770242 0.75 EPHX2 (0.51) NPC1RAB9ASMN1; SMN2TP53MAPT

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