SCHEMBL8633209

SCHEMBL8633209

CCc1cc(Nc2cccc(Cl)c2)c(S(C)(=O)=O)cc1C(=O)Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 2/20 0.43
AKR1C3 P42330 2/20 0.43
AKR1C2 P52895 2/20 0.43
HPGD P15428 1/20 0.43
GFER P55789 1/20 0.43
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
PDE4B Q07343 1/20 0.39
MT-CO2 P00403 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL8635140 0.88 BCAT2 (0.42) MEN1KMT2AAKR1C3AKR1C2HPGD
SCHEMBL8632359 0.87 MEN1 (0.44) MEN1KMT2ALMNASMN1; SMN2HTT
SCHEMBL8633969 0.87 CNR2 (0.43) MEN1KMT2ALMNAAKR1C3AKR1C2
SCHEMBL8635252 0.86 AKR1C3 (0.50) MEN1KMT2ALMNASMN1; SMN2AKR1C3
SCHEMBL8635178 0.85 AKR1C3 (0.48) MEN1KMT2ALMNASMN1; SMN2AKR1C3
SCHEMBL7768698 0.85
SCHEMBL8632259 0.84 YAP1 (0.49) LMNAAKR1C3AKR1C2HPGDGAA
SCHEMBL8632351 0.84 PDE4B (0.41) MEN1KMT2ALMNAHTTPTGS1
SCHEMBL8635462 0.82 PDE4B (0.41) SMN1; SMN2PTGS1PDE4BALDH1A1
SCHEMBL8634502 0.81 PTGS1 (0.38) KMT2ASMN1; SMN2PTGS1PTGS2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1057999-C 4-Aminobenzoylguanidine derivatives MERCK PATENT GMBH (DE) 2000-11-01 CN disclosed
US-5739142-A 4-aminobenzoylguanidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-04-14 US disclosed
CN-1138575-A 4-aminobenzoylguanidine derivatives MERCK PATENT GMBH (DE) 1996-12-25 CN disclosed