SCHEMBL3898931

SCHEMBL3898931

N=C(N)c1ccc(S(=O)(=O)NCCOc2cccc(C(=N)N)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 4/20 0.65
▸ PLG P00747 3/20 0.59
▸ F2 P00734 2/20 0.59
▸ PRSS1 P07477 10/20 0.58
▸ PRSS2 P07478 1/20 0.54
▸ C1S P09871 1/20 0.54
▸ PRSS3 P35030 1/20 0.54
▸ PROC P04070 1/20 0.53
▸ KLK1 P06870 1/20 0.53
▸ HRAS P01112 1/20 0.50
▸ KRAS P01116 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ KMT2A Q03164 1/20 0.50

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
SCHEMBL14132042 0.94 F10 (0.61) F10PLGF2PRSS1PRSS2
Trifluoroacetic Acid SCHEMBL3899650 0.92 F10 (0.59) F10PLGF2
SCHEMBL14132247 0.92 F10 (0.55) F10PLGF2PRSS1PRSS2
SCHEMBL14132207 0.89 F2 (0.58) F10PLGF2PRSS1PRSS2
Trifluoroacetic Acid SCHEMBL3910393 0.88 F2 (0.55) F10F2
Trifluoroacetic Acid SCHEMBL3907682 0.85 F10 (0.53) F10F2
SCHEMBL3910394 0.85 F2 (0.52) F10F2PRSS1HRASKRAS
SCHEMBL14132052 0.85 F2 (0.57) F10PLGF2PRSS1PRSS2
Trifluoroacetic Acid SCHEMBL3899556 0.82 F2 (0.67) F10PLGF2PRSS1PRSS2
SCHEMBL13918681 0.82 KMT2A (0.58) HRASKRASMEN1HTTKMT2A

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
US-7396844-B1 Benzamidine derivatives AJINOMOTO CO., INC. (JP) 2008-07-08 — — US disclosed
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