SCHEMBL8658298

SCHEMBL8658298

COc1cc(-c2cc3c(cc2NS(=O)(=O)c2ccccc2)OCO3)ccc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
USP2 O75604 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
TRIM24 O15164 1/20 0.40
ERAP1 Q9NZ08 1/20 0.40
MEN1 O00255 1/20 0.40
PKM P14618 1/20 0.40
ACLY P53396 3/20 0.39
AAK1 Q2M2I8 1/20 0.39
STAT3 P40763 1/20 0.39
TSHR P16473 1/20 0.39
MCOLN2 Q8IZK6 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.39
MCOLN1 Q9GZU1 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
SCHEMBL8661926 0.88 HPGD (0.45) KMT2AGAAHPGDL3MBTL1MAPT
SCHEMBL8660175 0.88 MAPT (0.53) KMT2AHPGDL3MBTL1MAPTALDH1A1
SCHEMBL8662978 0.87 HPGD (0.46) KMT2AGAAHPGDMAPTALDH1A1
SCHEMBL8656218 0.87 STAT3 (0.48) KMT2AHPGDL3MBTL1MAPTALDH1A1
SCHEMBL8659710 0.86 KIF11 (0.46) KMT2AHPGDMAPTALDH1A1MEN1
SCHEMBL8662794 0.86 HPGD (0.46) KMT2AHPGDL3MBTL1MAPTALDH1A1
SCHEMBL8661649 0.85 MEN1 (0.49) KMT2AHPGDL3MBTL1MAPTALDH1A1
SCHEMBL8661718 0.85 HPGD (0.46) KMT2AGAAHPGDL3MBTL1MAPT
SCHEMBL8659128 0.85 HPGD (0.46) KMT2AGAAHPGDMAPTALDH1A1
SCHEMBL8660150 0.85 HPGD (0.47) KMT2AGAAHPGDL3MBTL1MAPT

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