SCHEMBL1432115

SCHEMBL1432115

C[Sn](C)(C)c1cc(NC(=O)c2cc[nH]n2)c2cnn(S(=O)(=O)c3ccccc3)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.36
RORC P51449 5/20 0.33
HTR1A P08908 1/20 0.32
HTR7 P34969 1/20 0.32
HTR2B P41595 1/20 0.32
OPRM1 P35372 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
HDAC3 O15379 2/20 0.31
HDAC4 P56524 2/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC7 Q8WUI4 2/20 0.31
HDAC2 Q92769 2/20 0.31
HDAC10 Q969S8 2/20 0.31
HDAC11 Q96DB2 2/20 0.31
HDAC8 Q9BY41 2/20 0.31
HDAC6 Q9UBN7 2/20 0.31
HDAC9 Q9UKV0 2/20 0.31

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
SCHEMBL462217 0.82 PIK3CD (0.47) HTR6RORCHTR1AHTR7HTR2B
SCHEMBL456826 0.81 ALDH1A1 (0.44) HDAC1
SCHEMBL1431436 0.79 TSHR (0.48) HTR6RORCOPRM1
SCHEMBL2216043 0.79 HTR6 (0.36) HTR6RORCHTR1AHTR7HTR2B
SCHEMBL2214904 0.79 EGFR (0.34) HTR6HDAC3HDAC4HDAC1HDAC7
SCHEMBL458467 0.72 HTR6 (0.43) HTR6HDAC3HDAC4HDAC1HDAC7
SCHEMBL1432113 0.69 HTR6 (0.39) HTR6PIK3CDPIK3CAPIK3CGHDAC3
SCHEMBL1251686 0.67 PIK3CD (0.62) HTR6PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL110249 0.66 HTR6 (0.43) HTR6OPRM1HDAC3HDAC4HDAC1
SCHEMBL1431711 0.65 PIK3CD (0.51) HTR6PIK3CDPIK3CAPIK3CBPIK3CG

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
EP-2300437-A1 BENZPYRAZOL DERIVATIVES AS INHIBITORS OF PI3 KINASES Glaxo Group Limited (GB) 2011-03-30 EP disclosed