Fluoride

Fluoride

SCHEMBL27733765

Cc1nn(C)c(Cl)c1S(=O)(=O)O.F

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.45
MCL1 Q07820 1/20 0.44
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
FPR2 P25090 7/20 0.41
PROKR1 Q8TCW9 7/20 0.41
ACLY P53396 2/20 0.40
HTR6 P50406 1/20 0.39
GAA P10253 1/20 0.37
NMT1 P30419 2/20 0.36
ALDH1A1 P00352 1/20 0.35
CCR2 P41597 1/20 0.34

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
SCHEMBL2650212 0.98 L3MBTL1 (0.46) L3MBTL1MCL1KDM4EPOLBAPEX1
Hydrochloric Acid SCHEMBL27293487 0.96 L3MBTL1 (0.45) L3MBTL1MCL1KDM4EPOLBAPEX1
SCHEMBL6205745 0.83 L3MBTL1 (0.44) L3MBTL1MCL1KDM4EPOLBAPEX1
SCHEMBL388129 0.80 L3MBTL1 (0.43) L3MBTL1MCL1FPR2PROKR1ACLY
SCHEMBL1641772 0.80 L3MBTL1 (0.43) L3MBTL1MCL1FPR2PROKR1ACLY
SCHEMBL6205744 0.78 L3MBTL1 (0.42) L3MBTL1MCL1FPR2PROKR1ACLY
SCHEMBL4636620 0.78 MCL1 (0.48) L3MBTL1MCL1FPR2PROKR1ACLY
SCHEMBL1626536 0.78 L3MBTL1 (0.42) L3MBTL1MCL1KDM4EFPR2PROKR1
SCHEMBL3941116 0.78 L3MBTL1 (0.42) L3MBTL1MCL1FPR2PROKR1ACLY
SCHEMBL15882311 0.78 ACLY (0.50) L3MBTL1MCL1FPR2PROKR1ACLY

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
CN-101208299-A Diarylsulfone sulfonamides and use therof WYETH CORP (US) 2008-06-25 CN disclosed