SCHEMBL7816360

SCHEMBL7816360

CS(=O)(=O)ONC(N)=NC(=O)c1cccc(-c2ccoc2C#N)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 7/20 0.34
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30
F2 P00734 1/20 0.30
F10 P00742 1/20 0.30
KAT6A Q92794 2/20 0.30
BACE1 P56817 1/20 0.30

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
SCHEMBL7816358 0.87 SLC9A1 (0.46) SLC9A1
SCHEMBL8444375 0.85 SLC9A1 (0.36) SLC9A1CHRM2CHRM4CHRM5CHRM1
SCHEMBL8443424 0.83 SLC9A1 (0.33) SLC9A1CHRM2CHRM4CHRM5CHRM1
SCHEMBL1387827 0.82 SLC9A1 (0.40) SLC9A1
SCHEMBL8444497 0.81 SLC9A1 (0.38) SLC9A1CA12CA1CA2CA9
SCHEMBL7830864 0.80 SLC9A1 (0.34) SLC9A1CA12CA1CA2CA9
Guanidine SCHEMBL8700429 0.78 CHRM2 (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7824600 0.77 HDAC2 (0.41) CA12CA1CA2CA9
SCHEMBL7826367 0.76 SLC9A1 (0.36) SLC9A1CA12CA1CA2CA9
SCHEMBL7822730 0.76 SLC9A1 (0.46) SLC9A1CA12CA1CA2CA9

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-0699185-B1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+ /H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO (JP) 2001-09-05 EP disclosed
EP-0699185-A1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+ /H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-03-06 EP disclosed