SCHEMBL8770352

SCHEMBL8770352

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

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
F2 P00734 9/20 0.46
F10 P00742 5/20 0.46
PLAU P00749 5/20 0.46
PLAT P00750 3/20 0.46
F7 P08709 9/20 0.45
PRSS1 P07477 3/20 0.43
PRSS2 P07478 2/20 0.43
PRSS3 P35030 2/20 0.43
F3 P13726 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TMPRSS6 Q8IU80 1/20 0.43
ST14 Q9Y5Y6 1/20 0.43
PLG P00747 1/20 0.42
KLKB1 P03952 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 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
SCHEMBL8770674 0.86 NPC1 (0.51) NPC1RAB9AF2F10PLAU
SCHEMBL8770226 0.86 NPC1 (0.51) NPC1RAB9AF2F10PLAU
SCHEMBL8770281 0.85 NPC1 (0.50) NPC1RAB9AF2F10PLAU
SCHEMBL11860402 0.84 SMN1; SMN2 (0.52) SMN1; SMN2KMT2A
SCHEMBL19489229 0.84 SMN1; SMN2 (0.58) F2F10PLAUF7PRSS1
SCHEMBL19486253 0.84 SMN1; SMN2 (0.58) F2F10PLAUF7PRSS1
SCHEMBL19486247 0.84 SMN1; SMN2 (0.58) F2F10PLAUF7PRSS1
SCHEMBL8770394 0.83 NPC1 (0.48) NPC1RAB9AF2F10PLAU
SCHEMBL8770224 0.79 ITGB3 (0.58) NPC1RAB9AF2F10PLAU
SCHEMBL8770262 0.79 ITGB3 (0.58) 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