SCHEMBL8059504

SCHEMBL8059504

Cc1cc(C(=O)N=C(N)N)ccc1Oc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
CYP2C9 P11712 1/20 0.48
LMNA P02545 2/20 0.48
KMT2A Q03164 2/20 0.46
TSHR P16473 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 2/20 0.43
GPR55 Q9Y2T6 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL8445996 0.87 ALDH1A1 (0.49) ALDH1A1CYP2C9LMNAKMT2A
Hydrochloric Acid SCHEMBL8070565 0.86 ALDH1A1 (0.48) ALDH1A1CYP2C9LMNAKMT2A
SCHEMBL8059494 0.82 ALDH1A1 (0.51) ALDH1A1CYP2C9LMNAKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL8073733 0.76 ALDH1A1 (0.43) ALDH1A1CYP2C9LMNAKMT2ATSHR
SCHEMBL11052251 0.72 ALDH1A1 (0.71) ALDH1A1LMNAKMT2ATSHRSMN1; SMN2
SCHEMBL8445993 0.70 ALDH1A1 (0.48) ALDH1A1CYP2C9LMNAKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL9436788 0.69 MAPT (0.58) ALDH1A1LMNAKMT2ASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL8070562 0.69 ALDH1A1 (0.47) ALDH1A1CYP2C9LMNAKMT2ASMN1; SMN2
SCHEMBL8446349 0.69 SLC9A1 (0.53)
Hydrochloric Acid SCHEMBL8059477 0.68 SLC9A1 (0.52)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
US-6057322-A USEFUL IN TREATMENT OF CARDIOVASCULAR DISEASES HOECHST AKTIENGESELLSCHAFT (DE) 2000-05-02 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
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