SCHEMBL7822636

SCHEMBL7822636

CS(=O)(=O)OCc1cc(C(=O)N=C(N)N)cc(-c2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 6/20 0.40
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
HTR7 P34969 1/20 0.38
HTR2B P41595 1/20 0.38
SLC9A2 Q9UBY0 1/20 0.38
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37

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
SCHEMBL7822631 0.83 SLC9A1 (0.48) SLC9A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL27469085 0.81 SLC9A1 (0.53) SLC9A1HTR7HTR2BSLC9A2
SCHEMBL7826584 0.81 SLC9A1 (0.53) SLC9A1HTR7HTR2BSLC9A2
SCHEMBL7830737 0.81 SLC9A1 (0.38) SLC9A1
SCHEMBL9392268 0.79 SLC9A1 (0.46) SLC9A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7824223 0.79 SLC9A1 (0.42) SLC9A1HTR7HTR2BSLC9A2
SCHEMBL7824218 0.79 SLC9A1 (0.49) SLC9A1HTR7HTR2B
SCHEMBL8444396 0.78 SLC9A1 (0.38) SLC9A1HTR7HTR2B
SCHEMBL7826501 0.78 SLC9A1 (0.41) SLC9A1SLC9A2
Hydrochloric Acid SCHEMBL8896537 0.76 SLC9A1 (0.44) SLC9A1HTR7HTR2BSLC9A2

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