SCHEMBL8660150

SCHEMBL8660150

COc1cc(-c2cc3c(cc2NS(=O)(=O)c2ccccc2)OCO3)cc(OC)c1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.44
USP2 O75604 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PKM P14618 1/20 0.43
MCOLN2 Q8IZK6 1/20 0.42
MCOLN3 Q8TDD5 1/20 0.42
MCOLN1 Q9GZU1 1/20 0.42
TSHR P16473 1/20 0.42
KDM4E B2RXH2 3/20 0.42
HSD17B10 Q99714 2/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
POLB P06746 1/20 0.42
TRIM24 O15164 1/20 0.41

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
SCHEMBL8657249 0.90 HPGD (0.48) HPGDL3MBTL1ALDH1A1MAPTUSP2
SCHEMBL8656784 0.90 HPGD (0.48) HPGDL3MBTL1ALDH1A1MAPTUSP2
SCHEMBL8661257 0.90 HPGD (0.48) HPGDL3MBTL1ALDH1A1MAPTUSP2
SCHEMBL8656218 0.89 STAT3 (0.48) HPGDL3MBTL1ALDH1A1MAPTUSP2
SCHEMBL8661926 0.89 HPGD (0.45) HPGDL3MBTL1ALDH1A1MAPTUSP2
SCHEMBL8660175 0.88 MAPT (0.53) HPGDL3MBTL1ALDH1A1MAPTUSP2
SCHEMBL8656136 0.88 HPGD (0.50) HPGDL3MBTL1ALDH1A1MAPTMEN1
SCHEMBL8657311 0.87 HPGD (0.47) HPGDL3MBTL1ALDH1A1MAPTUSP2
SCHEMBL8662794 0.86 HPGD (0.46) HPGDL3MBTL1ALDH1A1MAPTUSP2
SCHEMBL8661451 0.85 ALDH1A1 (0.51) HPGDALDH1A1MAPTMEN1KMT2A

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