SCHEMBL8097729

SCHEMBL8097729

Cc1c(C(=O)NC(=N)N)cc(S(C)(=O)=O)cc1C(C)CO

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL8089448 0.87 LMNA (0.35) SLC9A1LMNA
SCHEMBL8088976 0.85 LMNA (0.32) LMNA
SCHEMBL8358558 0.79 LMNA (0.45) L3MBTL1LMNA
SCHEMBL8358390 0.79 ALDH1A1 (0.38) L3MBTL1LMNA
SCHEMBL7125185 0.71 TDP1 (0.42) L3MBTL1LMNA
Hydrochloric Acid SCHEMBL8983516 0.71 SLC9A1 (0.46) SLC9A1
Hydrochloric Acid SCHEMBL8804424 0.70 TDP1 (0.41) L3MBTL1LMNA
Hydrochloric Acid SCHEMBL8805378 0.69 LMNA (0.40) LMNA
Hydrochloric Acid SCHEMBL8803119 0.69 LMNA (0.57) LMNA
SCHEMBL21884475 0.69 LMNA (0.42) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6001881-A Ortho-substituted benzoylguanidines, a process for their preparation, their use as a medicament or diagnostic agent, and a medicament comprising them HOECHST AKTIENGESELLSCHAFT (DE) 1999-12-14 US claimed
EP-0814077-B1 Benzoylguanidines, process for their preparation and medicaments containing them HOECHST AG (DE) 2000-04-05 EP disclosed
US-6001881-A Ortho-substituted benzoylguanidines, a process for their preparation, their use as a medicament or diagnostic agent, and a medicament comprising them HOECHST AKTIENGESELLSCHAFT (DE) 1999-12-14 US disclosed
EP-0814077-A1 Benzoylguanidines, process for their preparation and medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1997-12-29 EP disclosed