SCHEMBL3900433

SCHEMBL3900433

COc1ccc(C(=O)c2ccc(N(CCOc3cccc(C(=N)N)c3)C(=O)C(F)(F)F)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.47
PRSS1 P07477 11/20 0.46
PRSS2 P07478 3/20 0.44
PRSS3 P35030 3/20 0.44
STS P08842 2/20 0.44
F2 P00734 2/20 0.43
PLG P00747 1/20 0.43
C1S P09871 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL3911485 0.92 F10 (0.53) F10PRSS1PRSS2PRSS3F2
SCHEMBL3907503 0.88 F10 (0.50) F10PRSS1PRSS2PRSS3F2
SCHEMBL3903062 0.88 F10 (0.52) F10PRSS1PRSS2PRSS3F2
SCHEMBL3896379 0.87 PRSS1 (0.50) F10PRSS1PRSS2PRSS3F2
SCHEMBL3911248 0.87 F10 (0.50) F10PRSS1PRSS2PRSS3F2
SCHEMBL3895897 0.86 F10 (0.53) F10PRSS1PRSS2PRSS3F2
SCHEMBL3896837 0.86 F10 (0.55) F10PRSS1PRSS2PRSS3F2
SCHEMBL3895991 0.85 PRSS1 (0.48) F10PRSS1PRSS2PRSS3F2
SCHEMBL3912117 0.85 PRSS1 (0.50) F10PRSS1PRSS2PRSS3F2
SCHEMBL3911553 0.85 F10 (0.51) F10PRSS1PRSS2PRSS3F2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0976722-B1 BENZAMIDINE DERIVATIVES AJINOMOTO KK (JP) 2009-03-11 EP disclosed
US-7396844-B1 Benzamidine derivatives AJINOMOTO CO., INC. (JP) 2008-07-08 US disclosed