SCHEMBL3899332

SCHEMBL3899332

N#Cc1cccc(OCCNS(=O)(=O)c2ccc(C(N)=O)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.47
▸ ATIC P31939 1/20 0.47
▸ HRAS P01112 1/20 0.46
▸ KRAS P01116 1/20 0.46
▸ VNN1 O95497 1/20 0.44
▸ TRPV4 Q9HBA0 1/20 0.44
▸ PARP10 Q53GL7 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ ADRB2 P07550 1/20 0.43
▸ ADRB1 P08588 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ F2 P00734 1/20 0.43
▸ PLG P00747 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
SCHEMBL3895495 0.87 MEN1 (0.55) MEN1HTTKMT2ANPSR1HRAS
SCHEMBL14132042 0.84 F10 (0.61) MEN1HTTKMT2AHRASKRAS
SCHEMBL3900659 0.84 MEN1 (0.52) MEN1HTTKMT2ANPSR1HRAS
SCHEMBL3910408 0.82 F10 (0.63) VNN1PARP10ALDH1A1PLGGAA
SCHEMBL3897403 0.81 HRAS (0.57) MEN1HTTKMT2ANPSR1HRAS
Trifluoroacetic Acid SCHEMBL3910393 0.79 F2 (0.55) F2
SCHEMBL3898931 0.78 F10 (0.65) MEN1HTTKMT2AHRASKRAS
SCHEMBL3903098 0.78 KAT6A (0.55) MEN1HTTKMT2ANPSR1HRAS
SCHEMBL13918681 0.78 KMT2A (0.58) MEN1HTTKMT2ANPSR1HRAS
Trifluoroacetic Acid SCHEMBL3899650 0.74 F10 (0.59) F2PLG

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
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