SCHEMBL8088976

SCHEMBL8088976

COc1c(C(=O)NC(=N)N)cc(S(C)(=O)=O)cc1C(C)CO

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.32
ADRA2A P08913 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
DRD2 P14416 1/20 0.32
TSHR P16473 1/20 0.32
DRD3 P35462 1/20 0.32
HTR2B P41595 1/20 0.32
STAT6 P42226 1/20 0.32
KCNH2 Q12809 1/20 0.32
BLM P54132 1/20 0.31
RORC P51449 1/20 0.30
ABCG2 Q9UNQ0 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
SCHEMBL8097729 0.85 SLC9A1 (0.30) LMNA
SCHEMBL8089448 0.84 LMNA (0.35) LMNA
SCHEMBL8358621 0.82 CA2 (0.39) LMNAADRA2ACYP2D6CYP2C9DRD2
SCHEMBL8354879 0.81 LMNA (0.42) LMNA
SCHEMBL8704133 0.74 L3MBTL1 (0.37) LMNA
SCHEMBL8358390 0.71 ALDH1A1 (0.38) LMNAADRA2ACYP2D6CYP2C9DRD2
SCHEMBL8358401 0.70 ALDH1A1 (0.42) LMNATSHRRORC
Hydrochloric Acid SCHEMBL8983516 0.69 SLC9A1 (0.46)
Hydrochloric Acid SCHEMBL8805378 0.67 LMNA (0.40) LMNA
Hydrochloric Acid SCHEMBL8803119 0.67 LMNA (0.57) 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