SCHEMBL6954191

SCHEMBL6954191

CNC(=S)NS(=O)(=O)N(Cc1ccc2ccc(C(=N)N)cc2c1)c1ccc(OC2CCN(C(C)=N)CC2)cc1

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.76
KCNH2 Q12809 1/20 0.76
F2 P00734 5/20 0.72
PRSS1 P07477 3/20 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
SCHEMBL6960754 0.92 F10 (0.78) F10KCNH2F2PRSS1
SCHEMBL8800030 0.91 F10 (0.81) F10KCNH2F2PRSS1
SCHEMBL6956447 0.91 F10 (0.81) F10KCNH2F2PRSS1
SCHEMBL6156620 0.91 F10 (0.83) F10KCNH2F2PRSS1
Hydrochloric Acid SCHEMBL6953172 0.90 F10 (0.82) F10KCNH2F2PRSS1
Hydrochloric Acid SCHEMBL6961562 0.89 F10 (0.78) F10KCNH2F2PRSS1
SCHEMBL6959108 0.88 F10 (0.84) F10KCNH2F2PRSS1
SCHEMBL7198338 0.88 F10 (0.78) F10KCNH2F2PRSS1
Hydrochloric Acid SCHEMBL6954719 0.87 F10 (0.77) F10KCNH2F2PRSS1
SCHEMBL7199874 0.87 F10 (0.79) F10KCNH2F2PRSS1

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-0798295-B1 NOVEL AMIDINONAPHTHYL DERIVATIVE OR SALT THEREOF YAMANOUCHI PHARMA CO LTD (JP) 2003-02-26 EP disclosed
EP-0798295-A1 NOVEL AMIDINONAPHTHYL DERIVATIVE OR SALT THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1997-10-01 EP disclosed