SCHEMBL20783100

SCHEMBL20783100

Cc1ccnc2c1cc(-c1cccnc1)n2S(=O)(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.49
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
PTGDR2 Q9Y5Y4 3/20 0.44
CYP2A6 P11509 2/20 0.42
LATS1 O95835 1/20 0.40
PIK3C3 Q8NEB9 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
KDR P35968 1/20 0.39
CYP2E1 P05181 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2B6 P20813 1/20 0.39
CYP2C19 P33261 1/20 0.39
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
PIK3CA P42336 1/20 0.38
GBA1 P04062 1/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37

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
SCHEMBL26503063 0.87 HTR6 (0.50) HTR6GAAMAPTPTGDR2CYP2A6
SCHEMBL20765211 0.86 HTR6 (0.47) HTR6GAAMAPTPTGDR2CYP2A6
SCHEMBL30380898 0.86 HTR6 (0.47) HTR6GAAMAPTPTGDR2CYP2A6
SCHEMBL4316470 0.86 HTR6 (0.47) HTR6GAAMAPTPTGDR2CYP2A6
SCHEMBL17105299 0.84 HTR6 (0.45) HTR6GAAMAPTPTGDR2CYP11B1
SCHEMBL30405579 0.81 CYP2C19 (0.51) HTR6GAAMAPTPTGDR2CYP2A6
SCHEMBL20765228 0.81 HTR6 (0.43) HTR6GAAMAPTPTGDR2CYP2A6
SCHEMBL20783101 0.81 CYP17A1 (0.44) HTR6MAPTPTGDR2PTGS2GBA1
SCHEMBL20782959 0.78 PTGDR2 (0.42) HTR6MAPTPTGDR2LATS1PIK3C3
SCHEMBL29941106 0.76 CA12 (0.42) HTR6MAPTPTGDR2PIK3C3CYP2C19

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
WO-2019038384-A1 AZAINDOLYLPYRIDONE AND DIAZAINDOLYLPYRIDONE COMPOUNDS SPRINT BIOSCIENCE AB (SE) 2019-02-28 WO disclosed