SCHEMBL3910394

SCHEMBL3910394

N=C(N)c1cccc(OCCNS(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2 P00734 12/20 0.52
TMPRSS6 Q8IU80 5/20 0.51
F10 P00742 3/20 0.51
PRSS1 P07477 3/20 0.49
HRAS P01112 1/20 0.47
KRAS P01116 1/20 0.47

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
Trifluoroacetic Acid SCHEMBL3899650 0.87 F10 (0.59) F2TMPRSS6F10
SCHEMBL3898931 0.85 F10 (0.65) F2F10PRSS1HRASKRAS
Trifluoroacetic Acid SCHEMBL3910393 0.85 F2 (0.55) F2TMPRSS6F10
SCHEMBL14132042 0.84 F10 (0.61) F2F10PRSS1HRASKRAS
Trifluoroacetic Acid SCHEMBL3907682 0.84 F10 (0.53) F2TMPRSS6F10
SCHEMBL14132247 0.82 F10 (0.55) F2F10PRSS1HRASKRAS
Trifluoroacetic Acid SCHEMBL3899556 0.82 F2 (0.67) F2TMPRSS6F10PRSS1HRAS
SCHEMBL14132207 0.79 F2 (0.58) F2TMPRSS6F10PRSS1HRAS
Trifluoroacetic Acid SCHEMBL3898961 0.79 F2 (0.66) F2TMPRSS6F10PRSS1
SCHEMBL14132052 0.76 F2 (0.57) F2TMPRSS6F10PRSS1HRAS

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 3 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
EP-0976722-A1 BENZAMIDINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2000-02-02 EP disclosed