SCHEMBL6681402

SCHEMBL6681402

N=C(N)NC(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.57
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
MAPT P10636 2/20 0.54
KDM4E B2RXH2 1/20 0.54
NPC1 O15118 1/20 0.54
PKM P14618 1/20 0.54
RAB9A P51151 1/20 0.54
HPGD P15428 3/20 0.51
POLB P06746 1/20 0.51
HTT P42858 1/20 0.51
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
TSHR P16473 1/20 0.50
SCN5A Q14524 1/20 0.48
SCN2A Q99250 1/20 0.48
S1PR3 Q99500 2/20 0.47
EPHX2 P34913 1/20 0.46
FLT1 P17948 1/20 0.46
FLT4 P35916 1/20 0.46

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
SCHEMBL15328038 0.85 BCAT2 (0.65) BCAT2MEN1KMT2AMAPTKDM4E
SCHEMBL15657808 0.84 MAOA (0.60) BCAT2MEN1KMT2AMAPTKDM4E
Hydrochloric Acid SCHEMBL8505392 0.83 KCNQ3 (0.48) BCAT2NPC1RAB9AMAOBS1PR3
Hydrochloric Acid SCHEMBL8505871 0.83 TAS1R3 (0.51) BCAT2MEN1KMT2AMAPTKDM4E
SCHEMBL8768306 0.81 HPGD (0.42) BCAT2MEN1KMT2AKDM4EHPGD
SCHEMBL7266574 0.80 ALDH1A1 (0.48) MEN1KMT2AMAPTKDM4EPKM
Hydrochloric Acid SCHEMBL8504697 0.80 ALDH1A1 (0.39) BCAT2MEN1KMT2AMAPTKDM4E
Hydrochloric Acid SCHEMBL9189210 0.80 CA1 (0.59) MAPTKDM4ENPC1RAB9AHTT
Hydrochloric Acid SCHEMBL8503949 0.80 HPGD (0.41) BCAT2MEN1KMT2AKDM4EHPGD
SCHEMBL8507058 0.79 LMNA (0.59) MEN1KMT2AMAPTKDM4ENPC1

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-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
JP-2004189755-A SUBSTITUTED BENZOYLGUANIDINE AND METHOD FOR PRODUCING THE SAME HOECHST AG 2004-07-08 JP 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