SCHEMBL8660175

SCHEMBL8660175

COc1ccc(-c2cc3c(cc2NS(=O)(=O)c2ccccc2)OCO3)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
ALDH1A1 P00352 2/20 0.53
USP2 O75604 1/20 0.53
HSP90AA1 P07900 1/20 0.53
HSP90AB1 P08238 1/20 0.53
AAK1 Q2M2I8 1/20 0.50
HPGD P15428 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
ACLY P53396 5/20 0.46
TSHR P16473 1/20 0.45
NTRK1 P04629 2/20 0.45
KIT P10721 2/20 0.45
PIK3CA P42336 2/20 0.45
MEN1 O00255 1/20 0.44
PKM P14618 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL8662794 0.91 HPGD (0.46) MAPTALDH1A1USP2HSP90AA1HSP90AB1
SCHEMBL8659927 0.90 HPGD (0.55) MAPTALDH1A1USP2HSP90AA1HSP90AB1
SCHEMBL8656218 0.90 STAT3 (0.48) MAPTALDH1A1USP2HSP90AA1HSP90AB1
SCHEMBL8661649 0.90 MEN1 (0.49) MAPTALDH1A1USP2HSP90AA1HSP90AB1
SCHEMBL8661257 0.89 HPGD (0.48) MAPTALDH1A1USP2HSP90AA1HSP90AB1
SCHEMBL8656784 0.89 HPGD (0.48) MAPTALDH1A1USP2HSP90AA1HSP90AB1
SCHEMBL8657249 0.89 HPGD (0.48) MAPTALDH1A1USP2HSP90AA1HSP90AB1
SCHEMBL8660150 0.88 HPGD (0.47) MAPTALDH1A1USP2HSP90AA1HSP90AB1
SCHEMBL8658298 0.88 KMT2A (0.43) MAPTALDH1A1USP2HSP90AA1HSP90AB1
SCHEMBL8661926 0.85 HPGD (0.45) MAPTALDH1A1USP2HSP90AA1HSP90AB1

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