SCHEMBL10909581

SCHEMBL10909581

Cc1cc(S(=O)(=O)O)c2ccc(C(C)C)ccc1-2.[NaH]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
FABP3 P05413 1/20 0.40
FABP4 P15090 1/20 0.40
FABP5 Q01469 1/20 0.40
PTGS1 P23219 2/20 0.39
PTGS2 P35354 1/20 0.39
TRPA1 O75762 1/20 0.38
CACNA1C Q13936 1/20 0.38
BCL2 P10415 1/20 0.38
MCL1 Q07820 1/20 0.38
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
CSNK2A3 Q8NEV1 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
SENP2 Q9HC62 2/20 0.36
SENP1 Q9P0U3 2/20 0.36
SUMO2 P61956 1/20 0.36
SUMO1 P63165 1/20 0.36

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
SCHEMBL10909592 0.97 LMNA (0.47) LMNAFABP3FABP4FABP5PTGS1
SCHEMBL10805823 0.83 LMNA (0.43) LMNAFABP3FABP4FABP5PTGS1
SCHEMBL7788558 0.81 LMNA (0.44) LMNAFABP3FABP4FABP5PTGS1
SCHEMBL9567801 0.81 FABP3 (0.41) FABP3FABP4FABP5BCL2MCL1
Guaiazulene Sulfonic Acid SCHEMBL9065336 0.81 LMNA (0.44) LMNAFABP3FABP4FABP5PTGS1
SCHEMBL10909584 0.80 LMNA (0.47) LMNAPTGS1PTGS2BCL2MCL1
SCHEMBL12646158 0.80 LMNA (0.43) LMNAFABP3FABP4FABP5PTGS1
SCHEMBL10804720 0.80 LMNA (0.43) LMNAFABP3FABP4FABP5PTGS1
SCHEMBL10802071 0.79 SENP2 (0.43) LMNASENP2SENP1SUMO2SUMO1
Guaiazulene Sulfonic Acid SCHEMBL2734180 0.79 LMNA (0.46) LMNAFABP3FABP4FABP5PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-61180761-A None JP disclosed
JP-S61180761-A 6-SUBSTITUTED AZULENE DERIVATIVE SULFONIC ACID SALT, ANTIULCER AGENT, AND PREPARATION THEREOF KOTOBUKI SEIYAKU KK 1986-08-13 JP disclosed