SCHEMBL8904367

SCHEMBL8904367

N=C(N)c1ccc(C(N)(O)CCC(=O)OC(=O)CCC(N)=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 6/20 0.34
F2 P00734 5/20 0.34
PRSS2 P07478 3/20 0.34
PRSS3 P35030 3/20 0.34
PLG P00747 1/20 0.34
C1S P09871 1/20 0.34
ST14 Q9Y5Y6 3/20 0.33
NQO2 P16083 1/20 0.33
PLAU P00749 1/20 0.33
TMPRSS2 O15393 1/20 0.33
TMPRSS6 Q8IU80 1/20 0.33
F10 P00742 1/20 0.33

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
SCHEMBL8904636 0.82 PRSS1 (0.35) PRSS1F2PRSS2PRSS3PLG
SCHEMBL8903581 0.79 WDR5 (0.41) PRSS1F2PRSS2PRSS3PLG
SCHEMBL8905319 0.78 F2 (0.32) PRSS1F2PRSS2PRSS3PLG
SCHEMBL8903748 0.77 PRSS1 (0.34) PRSS1F2PRSS2PRSS3PLG
SCHEMBL8904537 0.74 F10 (0.36) PRSS1F2PRSS2PRSS3PLG
SCHEMBL8903611 0.72 PRSS1 (0.36) PRSS1F2PRSS2PRSS3PLG
SCHEMBL8905509 0.70 PLAU (0.42) PRSS1F2PRSS2PRSS3PLG
SCHEMBL8905138 0.70 PRSS1 (0.50) PRSS1F2PRSS2PRSS3PLG
SCHEMBL8904239 0.69 F2 (0.36) PRSS1F2PRSS2PRSS3PLG
Hydrochloric Acid SCHEMBL8500971 0.69 PRSS1 (0.51) PRSS1F2PRSS2PRSS3PLG

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
US-5703125-A MELT BLEND OF SOAP, SURFACTANT AND SOLVENT G. D. SEARLE & CO. (US) 1997-12-30 US disclosed