SCHEMBL7557765

SCHEMBL7557765

C=Cc1ccc(S(C)(=O)=O)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.39
KCNH2 Q12809 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 1/20 0.37
PIK3CD O00329 1/20 0.36
PIP5K1C O60331 1/20 0.36
PIK3CB P42338 1/20 0.36
PI4KA P42356 1/20 0.36
PIK3CG P48736 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
RORC P51449 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL7999568 0.82 KDM4E (0.41) HTR2AKCNH2ALDH1A1PIK3CDPIP5K1C
SCHEMBL3466929 0.82 HTR2A (0.40) HTR2AKCNH2PIK3CDPIP5K1CPIK3CB
SCHEMBL27827435 0.81 HTR2A (0.39) HTR2AKCNH2ALDH1A1PIK3CDPIP5K1C
SCHEMBL3466368 0.77 PIK3CD (0.37) HTR2AKCNH2ALDH1A1PIK3CDPIP5K1C
SCHEMBL3466553 0.77 HTR2A (0.36) HTR2AKCNH2PIK3CDPIP5K1CPIK3CB
SCHEMBL2643848 0.74 PIK3CD (0.39) ALDH1A1PIK3CDPIP5K1CPIK3CBPI4KA
SCHEMBL30445256 0.73 PIK3CD (0.40) HTR2AKCNH2ALDH1A1PIK3CDPIP5K1C
SCHEMBL3465757 0.73 PIK3CD (0.37) HTR2AKCNH2ALDH1A1PIK3CDPIP5K1C
SCHEMBL20574663 0.73 PIK3CD (0.40) HTR2AKCNH2ALDH1A1PIK3CDPIP5K1C
SCHEMBL26107943 0.73 PI4KB (0.55) KCNH2PIK3CDPIP5K1CPIK3CBPI4KA

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
EP-1192227-A2 WATER-BASED INK Kao Corporation (JP) 2002-04-03 EP disclosed
WO-2001060933-A2 WATER-BASED INK KAO CORPORATION (JP) 2001-08-23 WO disclosed