SCHEMBL8766934

SCHEMBL8766934

CC(C)c1ccc(C(=O)NC(=N)N)cc1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLAU P00749 3/20 0.39
SLC9A1 P19634 2/20 0.38
SCN5A Q14524 2/20 0.37
SCN2A Q99250 2/20 0.37
SLC9A2 Q9UBY0 1/20 0.36
KLKB1 P03952 3/20 0.34
F2 P00734 2/20 0.34
PLG P00747 2/20 0.34
PLAT P00750 2/20 0.34
PRSS1 P07477 2/20 0.34
EPHX2 P34913 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
F7 P08709 1/20 0.33
CNR2 P34972 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 SCHEMBL8504318 0.99 PLAU (0.38) PLAUSLC9A1SCN5ASCN2ASLC9A2
Hydrochloric Acid SCHEMBL8503974 0.86 S1PR1 (0.42) PLAUSLC9A1SCN5ASCN2AHTT
Hydrochloric Acid SCHEMBL8504098 0.84 PLAU (0.36) PLAUSLC9A1SCN5ASCN2ASLC9A2
SCHEMBL8768105 0.81 HSP90AA1 (0.49) PLAUF2PRSS1NR1H4HTT
SCHEMBL20077881 0.81 PLAU (0.38) PLAUKLKB1F2PLGPLAT
Hydrochloric Acid SCHEMBL8507099 0.80 PLAU (0.37) PLAUKLKB1F2PLGPLAT
Hydrochloric Acid SCHEMBL8506619 0.80 HSP90AA1 (0.48) PLAUF2PRSS1NR1H4HTT
SCHEMBL8768306 0.80 HPGD (0.42) PLAUSCN5ASCN2A
Cariporide SCHEMBL39639 0.80 SLC9A1 (0.61) PLAUSLC9A1SCN5ASCN2ASLC9A2
Hydrochloric Acid SCHEMBL8503949 0.79 HPGD (0.41) PLAUSCN5ASCN2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0612723-B1 Substituted benzoylguanidines, process for their preparation, their use as medicament, as inhibitor of the cellular Na+/H+ exchange or as diagnostic agent and medicament containing them HOECHST AG (DE) 1997-08-27 EP claimed