SCHEMBL7995261

SCHEMBL7995261

CS(=O)(=O)c1cc(C(=O)O)ccc1Oc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.61
AKR1C3 P42330 1/20 0.50
PKM P14618 1/20 0.50
SRD5A2 P31213 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
POLB P06746 1/20 0.45
CASP6 P55212 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GCK P35557 1/20 0.44
BRD4 O60885 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA7 P43166 1/20 0.44
TPMT P51580 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44

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
SCHEMBL8073502 0.92 TTR (0.51) TTRPKMSRD5A2NPSR1POLB
SCHEMBL8070954 0.87 PKM (0.50) TTRPKMNPSR1ALDH1A1CA12
SCHEMBL8815218 0.86 NR4A2 (0.58) PKMSRD5A2POLBMRGPRX4
SCHEMBL8832304 0.85 ALDH1A1 (0.46) TTRPKMALDH1A1
SCHEMBL11446022 0.85 PKM (0.66) TTRAKR1C3PKMSRD5A2NPSR1
SCHEMBL8059364 0.85 PKM (0.55) TTRPKMPOLBTDP1ALDH1A1
SCHEMBL8059681 0.85 TTR (0.45) TTRPKMNPSR1POLBCA12
SCHEMBL8068490 0.84 TTR (0.44) TTRPKMNPSR1POLBALDH1A1
SCHEMBL8185413 0.83 PKM (0.46) TTRPKMNPSR1ALDH1A1CA12
SCHEMBL8070909 0.83 SRD5A2 (0.56) TTRSRD5A2POLBTDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6057322-A USEFUL IN TREATMENT OF CARDIOVASCULAR DISEASES HOECHST AKTIENGESELLSCHAFT (DE) 2000-05-02 US disclosed
US-6022899-A EFFECTIVE INHIBITORS OF THE CELLULAR SODIUM PROTON ANTIPORTER HOECHST AKTIENGESELLSCHAFT (DE) 2000-02-08 US disclosed
EP-0723956-B1 Basically substituted benzoylguanidines, process for their preparation, their use as medicaments or diagnostics as well as medicaments containing them HOECHST AG (DE) 1999-10-13 EP disclosed
US-5753710-A INHIBITORS OF THE CELLULAR SODIUM PROTON ANTIPORTER HOECHST AKTIENGESELLSCHAFT (DE) 1998-05-19 US disclosed
EP-0589336-B1 Benzoylguanidines, process for their preparation and their use as antiarrhythmic agents HOECHST AG (DE) 1997-01-08 EP disclosed
US-5591754-A Benzoylguanidines, pharmaceutical composition containing them and treatment of arrthythmias therewith HOECHST AKTIENGESELLSCHAFT (DE) 1997-01-07 US disclosed
EP-0748795-A2 Substituted benzyloxycarbonyl guanidines as Na+/H+ exchange inhibitors, process for their preparation, their use as medicinal or diagnostic agents as well as medicament containing them HOECHST AKTIENGESELLSCHAFT (DE) 1996-12-18 EP disclosed
EP-0723956-A1 Basically substituted benzoylguanidines, process for their preparation, their use as medicaments or diagnostics as well as medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1996-07-31 EP disclosed
EP-0589336-A1 Benzoylguanidines, process for their preparation and their use as antiarrhythmic agents HOECHST AKTIENGESELLSCHAFT (DE) 1994-03-30 EP disclosed