SCHEMBL8350665

SCHEMBL8350665

CC(CO)c1cc(S(C)(=O)=O)cc(C(=O)O)c1Cl

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
ACE2 Q9BYF1 2/20 0.41
ATM Q13315 1/20 0.38
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
TSHR P16473 2/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPT P10636 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL8358401 0.85 ALDH1A1 (0.42) LMNAMEN1KMT2ATSHRALDH1A1
SCHEMBL8358558 0.84 LMNA (0.45) LMNAACE2ATMMEN1KMT2A
SCHEMBL8354879 0.81 LMNA (0.42) LMNAACE2PTGDR2ALDH1A1MAPT
SCHEMBL8089448 0.80 LMNA (0.35) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL8805934 0.75 LMNA (0.64) LMNAKMT2ATSHRPTGDR2ALDH1A1
SCHEMBL8358390 0.72 ALDH1A1 (0.38) LMNAMEN1KMT2ATSHRALDH1A1
SCHEMBL8358621 0.71 CA2 (0.39) LMNATSHRALDH1A1CYP2D6MAPT
SCHEMBL34694 0.68 LMNA (1.00) LMNAMEN1KMT2ATSHRALDH1A1
SCHEMBL8097729 0.68 SLC9A1 (0.30) LMNA
SCHEMBL27263689 0.67 LMNA (0.56) LMNAMEN1KMT2AALDH1A1GAA

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 1 patent. 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 disclosed