SCHEMBL7830737

SCHEMBL7830737

CS(=O)(=O)OCCOc1cc(C(=O)N=C(N)N)cc(-c2ccccc2)c1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 7/20 0.38
BACE1 P56817 1/20 0.38
ASIC3 Q9UHC3 1/20 0.37
PARP10 Q53GL7 1/20 0.36
F2 P00734 1/20 0.36

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
SCHEMBL7830734 0.88 SLC9A1 (0.45) SLC9A1BACE1
SCHEMBL9392176 0.85 GAA (0.44) SLC9A1BACE1ASIC3PARP10
SCHEMBL7824223 0.83 SLC9A1 (0.42) SLC9A1
SCHEMBL7822636 0.81 SLC9A1 (0.40) SLC9A1
SCHEMBL27469085 0.78 SLC9A1 (0.53) SLC9A1
SCHEMBL7826584 0.78 SLC9A1 (0.53) SLC9A1
SCHEMBL7824218 0.73 SLC9A1 (0.49) SLC9A1
Hydrochloric Acid SCHEMBL8896537 0.73 SLC9A1 (0.44) SLC9A1
SCHEMBL7822631 0.73 SLC9A1 (0.48) SLC9A1
Guanidine SCHEMBL8703094 0.73 GAA (0.40) PARP10F2

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