SCHEMBL5533112

SCHEMBL5533112

O=S(=O)(N(c1ccc(F)cc1F)S(=O)(=O)C(F)(F)F)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 1/20 0.38
CES2 O00748 2/20 0.35
CES1 P23141 2/20 0.35
PSEN1 P49768 2/20 0.35
PSEN2 P49810 2/20 0.35
APH1B Q8WW43 2/20 0.35
NCSTN Q92542 2/20 0.35
APH1A Q96BI3 2/20 0.35
PSENEN Q9NZ42 2/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
ALDH1A1 P00352 2/20 0.34
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
POLB P06746 1/20 0.33
SOS1 Q07889 1/20 0.33
NFE2L2 Q16236 1/20 0.32
AKR1B1 P15121 1/20 0.32
HTT P42858 1/20 0.32
PTGS2 P35354 1/20 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
SCHEMBL2205464 0.80 ESR1 (0.36) CES2CES1ALDH1A1
SCHEMBL2206162 0.74 NR1I2 (0.36) EPAS1CES1ALDH1A1POLBSOS1
SCHEMBL2998340 0.72 MEN1 (0.39) CES2CES1ALDH1A1POLBPTGS2
SCHEMBL11343561 0.70 PSEN1 (0.43) EPAS1CES2CES1PSEN1PSEN2
SCHEMBL4307281 0.69 ALDH1A1 (0.46) CES2CES1DDB1CRBNALDH1A1
SCHEMBL11348463 0.68 KMT2A (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29191849 0.68 EPHX2 (0.31) ALDH1A1PTGS2
SCHEMBL5537674 0.68 CES2 (0.42) CES2CES1DDB1CRBNALDH1A1
SCHEMBL16914845 0.68 CES2 (0.38) CES2CES1PSEN1PSEN2APH1B
SCHEMBL2434424 0.68 ALDH1A1 (0.44) CES2CES1DDB1CRBNALDH1A1

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
WO-2007126262-A1 ANION RECEPTOR, AND ELECTROLYTE USING THE SAME KYUNGWON ENTERPRISE CO., LTD. (KR) 2007-11-08 WO claimed
WO-2007126262-A1 ANION RECEPTOR, AND ELECTROLYTE USING THE SAME KYUNGWON ENTERPRISE CO., LTD. (KR) 2007-11-08 WO disclosed