SCHEMBL8104313

SCHEMBL8104313

CS(=O)(=O)c1cc(C(=O)NC(=N)N)ccc1CCC(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.41
SLC9A1 P19634 2/20 0.36
DDR1 Q08345 1/20 0.35
SLC9A2 Q9UBY0 1/20 0.34
KLKB1 P03952 1/20 0.34
PLAU P00749 1/20 0.34
NR1H4 Q96RI1 1/20 0.33

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
Hydrochloric Acid SCHEMBL8095878 0.99 EPHX2 (0.40) EPHX2SLC9A1DDR1SLC9A2KLKB1
SCHEMBL17336046 0.85 PLAU (0.37) SLC9A1SLC9A2KLKB1PLAU
SCHEMBL8743798 0.83 PLK1 (0.39) SLC9A1PLAU
Hydrochloric Acid SCHEMBL8813212 0.83 PLAU (0.38) SLC9A1SLC9A2KLKB1PLAU
Hydrochloric Acid SCHEMBL8743781 0.82 PLK1 (0.38) PLAU
Hydrochloric Acid SCHEMBL8896876 0.81 SCN2A (0.40) PLAU
SCHEMBL8743820 0.80 SLC9A1 (0.40) SLC9A1SLC9A2PLAU
SCHEMBL8104315 0.80 SLC9A1 (0.56) SLC9A1SLC9A2
SCHEMBL8334682 0.79 VCAM1 (0.47) EPHX2
Hydrochloric Acid SCHEMBL7608239 0.79 DDR1 (0.38) SLC9A1DDR1SLC9A2PLAU

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-0702001-B1 Trifluoro-propyl-substituted benzoylguanidinens and their use as medicament or diagnostic agent HOECHST AG (DE) 2000-08-23 EP claimed
US-5869531-A NO UNDESIREABLE SALIDIURETIC PROPERTIES; TREATING ISCHEMIA INDUCED DISORDERS HOECHST AKTIENGESELLSCHAFT (DE) 1999-02-09 US disclosed