SCHEMBL8770394

SCHEMBL8770394

CC(C)(C)C(Oc1ccc(NC(=O)NC(=O)c2ccc(C(=N)N)cc2)cc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
F2 P00734 9/20 0.42
F10 P00742 4/20 0.42
PLAU P00749 3/20 0.42
PLAT P00750 2/20 0.42
F7 P08709 9/20 0.42
PRSS1 P07477 2/20 0.42
PRSS2 P07478 2/20 0.42
PRSS3 P35030 2/20 0.42
ST14 Q9Y5Y6 2/20 0.42
TMPRSS6 Q8IU80 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PLG P00747 1/20 0.40
F9 P00740 1/20 0.39

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
SCHEMBL8770281 0.86 NPC1 (0.50) NPC1RAB9AF2F10PLAU
SCHEMBL8770226 0.85 NPC1 (0.51) NPC1RAB9AF2F10PLAU
SCHEMBL8770674 0.85 NPC1 (0.51) NPC1RAB9AF2F10PLAU
SCHEMBL8770352 0.83 NPC1 (0.49) NPC1RAB9AF2F10PLAU
SCHEMBL8770224 0.75 ITGB3 (0.58) NPC1RAB9AF2F10PLAU
SCHEMBL8770262 0.75 ITGB3 (0.58) NPC1RAB9AF2F10PLAU
SCHEMBL8770417 0.75 NPC1 (0.44) NPC1RAB9AF2F10PLAU
SCHEMBL8770638 0.74 NPC1 (0.51) NPC1RAB9AF2F10PLAU
SCHEMBL8770227 0.74 NPC1 (0.51) NPC1RAB9AF2F10PLAU
SCHEMBL8770302 0.72 F2 (0.49) NPC1RAB9AF2F10PLAU

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-0632019-B1 Acylureas ZENECA LTD (GB) 1997-09-24 EP claimed