SCHEMBL7124083

SCHEMBL7124083

O=S(=O)(c1cc2ccccc2[nH]1)c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.57
AKR1B1 P15121 2/20 0.51
CNR1 P21554 7/20 0.46
FLT3 P36888 2/20 0.40
CYP2A6 P11509 1/20 0.40
AOC3 Q16853 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
DAO P14920 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
SRD5A2 P31213 1/20 0.39
HSD17B10 Q99714 1/20 0.39
BRD4 O60885 1/20 0.39
DDO Q99489 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
SCHEMBL28568569 0.84 CA2 (0.71) CA2AKR1B1CNR1FLT3CYP2A6
SCHEMBL31561597 0.77 CA2 (0.62) CA2AKR1B1CNR1FLT3CYP2A6
SCHEMBL3237494 0.77 CA2 (0.62) CA2AKR1B1CNR1FLT3CYP2A6
SCHEMBL329510 0.74 CA2 (0.69) CA2AKR1B1CNR1FLT3CYP2A6
SCHEMBL29520525 0.73 CA2 (0.57) CA2AKR1B1CNR1CA12CA1
SCHEMBL32681985 0.73 CA2 (1.00) CA2AKR1B1CNR1FLT3CYP2A6
SCHEMBL5610313 0.73 CA2 (0.67) CA2AKR1B1CNR1FLT3CYP2A6
SCHEMBL516901 0.73 CA2 (0.67) CA2AKR1B1CNR1FLT3CYP2A6
SCHEMBL32895 0.73 CA2 (1.00) CA2AKR1B1CNR1FLT3CYP2A6
SCHEMBL517161 0.73 CA2 (0.67) CA2AKR1B1CNR1FLT3CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3421350-B2 2003-06-30 JP claimed
JP-2000515545-A 2000-11-21 JP claimed
EP-0939627-A4 PENTAFLUOROBENZENESULFONAMIDES AND ANALOGS TULARIK INC (US) 2000-10-04 EP claimed
EP-0939627-A1 PENTAFLUOROBENZENESULFONAMIDES AND ANALOGS TULARIK, INC. (US) 1999-09-08 EP claimed
WO-1998005315-A1 PENTAFLUOROBENZENESULFONAMIDES AND ANALOGS TULARIK, INC. (US) 1998-02-12 WO claimed