SCHEMBL8905319

SCHEMBL8905319

N=C(N)c1ccc(C(N)(CC(=O)OC(=O)CCC(N)=O)c2cc(F)cc(F)c2)cc1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.32
PRSS1 P07477 4/20 0.32
PRSS2 P07478 3/20 0.32
PRSS3 P35030 3/20 0.32
ST14 Q9Y5Y6 2/20 0.32
NQO2 P16083 2/20 0.32
PLG P00747 2/20 0.32
F10 P00742 2/20 0.32
HDAC6 Q9UBN7 2/20 0.31
TMPRSS15 P98073 1/20 0.30
F9 P00740 1/20 0.30
C1S P09871 1/20 0.30

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
SCHEMBL8903581 0.85 WDR5 (0.41) F2PRSS1PRSS2PRSS3ST14
SCHEMBL8904537 0.78 F10 (0.36) F2PRSS1PRSS2PRSS3ST14
SCHEMBL8904367 0.78 PRSS1 (0.34) F2PRSS1PRSS2PRSS3ST14
SCHEMBL8905509 0.76 PLAU (0.42) F2PRSS1PRSS2PRSS3NQO2
SCHEMBL8903748 0.76 PRSS1 (0.34) F2PRSS1PRSS2PRSS3ST14
SCHEMBL8904636 0.71 PRSS1 (0.35) F2PRSS1PRSS2PRSS3ST14
SCHEMBL17065345 0.67 MIF (0.41)
SCHEMBL8903611 0.67 PRSS1 (0.36) F2PRSS1PRSS2PRSS3ST14
SCHEMBL8905138 0.65 PRSS1 (0.50) F2PRSS1PRSS2PRSS3ST14
Hydrochloric Acid SCHEMBL8500971 0.64 PRSS1 (0.51) F2PRSS1PRSS2PRSS3ST14

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