SCHEMBL8358558

SCHEMBL8358558

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

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
ACE2 Q9BYF1 2/20 0.42
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 2/20 0.33
ATM Q13315 1/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
AKR1C3 P42330 2/20 0.33
AKR1C2 P52895 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32

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
SCHEMBL8358390 0.85 ALDH1A1 (0.38) LMNAALDH1A1KDM4EL3MBTL1MEN1
SCHEMBL8350665 0.84 LMNA (0.51) LMNAACE2ALDH1A1ATMMEN1
SCHEMBL8354879 0.82 LMNA (0.42) LMNAACE2ALDH1A1MAPK1KDM4E
SCHEMBL8097729 0.79 SLC9A1 (0.30) LMNAL3MBTL1
SCHEMBL27263689 0.79 LMNA (0.56) LMNAALDH1A1MAPK1KDM4EMEN1
SCHEMBL3898096 0.73 LMNA (0.50) LMNAALDH1A1MAPK1KDM4EMEN1
SCHEMBL8358401 0.72 ALDH1A1 (0.42) LMNAALDH1A1KDM4EL3MBTL1MEN1
SCHEMBL8358621 0.72 CA2 (0.39) LMNAALDH1A1KDM4EPOLBL3MBTL1
SCHEMBL2574501 0.71 LMNA (0.49) LMNAALDH1A1MAPK1KDM4EAKR1C3
SCHEMBL27719001 0.71 LMNA (0.49) LMNAALDH1A1MAPK1KDM4EPOLB

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