SCHEMBL3909321

SCHEMBL3909321

N=C(N)c1cccc(NC(=O)[C@H](Cc2ccc(OC3CCN(C(=O)OCc4ccccc4)CC3)cc2)NS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 18/20 0.62
F10 P00742 17/20 0.62
F2 P00734 11/20 0.62
PLG P00747 11/20 0.62
PLAU P00749 11/20 0.62
HPN P05981 1/20 0.58
TMPRSS6 Q8IU80 4/20 0.52

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 SCHEMBL3898518 0.87 F2 (0.53) ST14F10F2PLGPLAU
SCHEMBL14132246 0.85 F2 (0.51) ST14F10F2PLGPLAU
SCHEMBL14132231 0.84 ST14 (0.53) ST14F10F2PLGPLAU
SCHEMBL3902593 0.84 MMP2 (0.50) ST14HPN
Trifluoroacetic Acid SCHEMBL3898272 0.82 F2 (0.56) ST14F10F2PLGPLAU
Trifluoroacetic Acid SCHEMBL3905613 0.82 ST14 (0.50) ST14F10F2PLGPLAU
SCHEMBL14132314 0.80 F10 (0.54) ST14F10F2PLGPLAU
SCHEMBL14132293 0.79 F10 (0.57) ST14F10F2PLGPLAU
SCHEMBL14132085 0.78 ST14 (0.48) ST14F10F2PLGPLAU
SCHEMBL3906910 0.77 F10 (0.51) ST14F10F2PLGHPN

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