SCHEMBL8663552

SCHEMBL8663552

O=S(=O)(Nc1cc2c(cc1-c1ccc(F)c(F)c1)OCO2)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.51
STAT3 P40763 1/20 0.51
GFER P55789 1/20 0.50
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
PTGS2 P35354 5/20 0.44
PTGS1 P23219 3/20 0.44
ALOX5AP P20292 1/20 0.43
FEN1 P39748 1/20 0.43
POLB P06746 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
ACLY P53396 1/20 0.41
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL8659193 0.90 HPGD (0.48) HPGDSTAT3GFERKDM4EALDH1A1
SCHEMBL8661260 0.90 HPGD (0.48) HPGDSTAT3GFERKDM4EALDH1A1
SCHEMBL8659268 0.90 TSHR (0.48) HPGDSTAT3GFERKDM4EALDH1A1
SCHEMBL8659417 0.90 HPGD (0.48) HPGDSTAT3GFERKDM4EALDH1A1
SCHEMBL8661797 0.89 HPGD (0.52) HPGDGFERKDM4EALDH1A1LMNA
SCHEMBL8663411 0.88 HPGD (0.57) HPGDSTAT3GFERKDM4EALDH1A1
SCHEMBL8657974 0.88 PTGS2 (0.55) HPGDSTAT3KDM4EALDH1A1LMNA
SCHEMBL8659710 0.88 KIF11 (0.46) HPGDSTAT3GFERKDM4EALDH1A1
SCHEMBL8658490 0.88 HPGD (0.46) HPGDSTAT3GFERKDM4EALDH1A1
SCHEMBL8662984 0.87 HPGD (0.50) HPGDSTAT3GFERKDM4EALDH1A1

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
US-5739166-A ALKYLSULFONYL OR AMINOSULFONYL SUBSTITUTED AROMATIC COMPOUNDS AS NON-STEROIDAL ANTIINFLAMMATORY AGENT G.D. SEARLE & CO. (US) 1998-04-14 US claimed
US-5739166-A ALKYLSULFONYL OR AMINOSULFONYL SUBSTITUTED AROMATIC COMPOUNDS AS NON-STEROIDAL ANTIINFLAMMATORY AGENT G.D. SEARLE & CO. (US) 1998-04-14 US disclosed