SCHEMBL4435595

SCHEMBL4435595

Cc1ccc(C(=O)N=C(N)N)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 1/20 0.51
ALDH1A1 P00352 5/20 0.50
LMNA P02545 2/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
HTR3E A5X5Y0 1/20 0.48
HTR3B O95264 1/20 0.48
HTR3A P46098 1/20 0.48
HTR3D Q70Z44 1/20 0.48
HTR3C Q8WXA8 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
SCN2A Q99250 3/20 0.48
SLC9A1 P19634 2/20 0.48
HTR7 P34969 1/20 0.46
HTR2B P41595 1/20 0.46
SLC9A2 Q9UBY0 1/20 0.45
PKM P14618 2/20 0.45
HTT P42858 2/20 0.45
ATM Q13315 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45

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
SCHEMBL14265179 0.83 TPH1 (0.56) TPH1LMNASMN1; SMN2SLC9A1HTR7
SCHEMBL27726091 0.81 CYP2A6 (0.51) SLC9A1HTR7HTR2BSLC9A2
SCHEMBL4628406 0.80 SCN2A (0.47) ALDH1A1LMNACES2CES1SMN1; SMN2
SCHEMBL7765045 0.80 TPH1 (0.53) TPH1SLC9A1HTR7HTR2B
SCHEMBL8507061 0.78 HTR2B (0.55) TPH1ALDH1A1LMNACES2CES1
SCHEMBL7798553 0.78 TPH1 (0.51) TPH1SLC9A1HTR7HTR2BSLC9A2
SCHEMBL7778378 0.78 ALDH1A1 (0.50) ALDH1A1LMNACES2CES1SMN1; SMN2
SCHEMBL13813415 0.78 PRSS1 (0.52) CES2CES1SMN1; SMN2SLC9A1HTR7
SCHEMBL8506397 0.78 HDAC1 (0.50) TPH1ALDH1A1SLC9A1SLC9A2HTT
SCHEMBL828587 0.77 TPH1 (0.55) TPH1SLC9A1HTR7HTR2BNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5866610-A Substituted benzoylguanidines, process for their preparation, their use as a pharmaceutical as inhibitors of the cellular NA+/H+ exchange or as a diagnostic, and pharmaceutical containing them HOECHST AKTIENGESELLSCHAFT (DE) 1999-02-02 US claimed
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
EP-0612723-A1 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 AKTIENGESELLSCHAFT (DE) 1994-08-31 EP claimed
EP-1030894-B2 CONDUCTIVE ORGANIC COATINGS HENKEL AG & CO KGAA (DE) 2009-10-28 EP disclosed
JP-2004189755-A SUBSTITUTED BENZOYLGUANIDINE AND METHOD FOR PRODUCING THE SAME HOECHST AG 2004-07-08 JP disclosed
EP-1030894-B1 CONDUCTIVE ORGANIC COATINGS HENKEL KGAA (DE) 2003-07-02 EP disclosed
US-5866610-A Substituted benzoylguanidines, process for their preparation, their use as a pharmaceutical as inhibitors of the cellular NA+/H+ exchange or as a diagnostic, and pharmaceutical containing them HOECHST AKTIENGESELLSCHAFT (DE) 1999-02-02 US disclosed
US-5866610-A Substituted benzoylguanidines, process for their preparation, their use as a pharmaceutical as inhibitors of the cellular NA+/H+ exchange or as a diagnostic, and pharmaceutical containing them HOECHST AKTIENGESELLSCHAFT (DE) 1999-02-02 US disclosed
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 disclosed
EP-0612723-A1 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 AKTIENGESELLSCHAFT (DE) 1994-08-31 EP disclosed
EP-0612723-A1 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 AKTIENGESELLSCHAFT (DE) 1994-08-31 EP disclosed