SCHEMBL29518656

SCHEMBL29518656

Nc1cccc2c(S(=O)(=O)O)cccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 1.00
NSD2 O96028 10/20 0.56
AURKA O14965 1/20 0.56
AURKB Q96GD4 1/20 0.56
ALDH1A1 P00352 2/20 0.54
CYP3A4 P08684 1/20 0.54
HPGD P15428 1/20 0.54
TSHR P16473 1/20 0.54
HSD17B10 Q99714 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
CYP1A2 P05177 2/20 0.49
CDK2 P24941 1/20 0.47
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
TDP2 O95551 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
IDO1 P14902 1/20 0.46
TDO2 P48775 1/20 0.46

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
SCHEMBL147103 1.00 TTR (1.00) TTRNSD2AURKAAURKBALDH1A1
SCHEMBL30804445 1.00 TTR (1.00) TTRNSD2AURKAAURKBALDH1A1
Hydrochloric Acid SCHEMBL28862332 0.98 TTR (0.96) TTRNSD2AURKAAURKBALDH1A1
SCHEMBL2951284 0.98 TTR (0.96) TTRNSD2AURKAAURKBALDH1A1
SCHEMBL28820267 0.93 TTR (0.86) TTRNSD2AURKAAURKBALDH1A1
SCHEMBL1525888 0.88 TTR (0.78) TTRNSD2AURKAAURKBALDH1A1
SCHEMBL29516385 0.88 TTR (0.78) TTRNSD2AURKAAURKBALDH1A1
SCHEMBL150853 0.88 TTR (0.78) TTRNSD2AURKAAURKBALDH1A1
SCHEMBL29363198 0.87 TTR (0.75) TTRNSD2AURKAAURKBALDH1A1
SCHEMBL30233642 0.87 TTR (0.75) TTRNSD2AURKAAURKBALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4313959-A1 SUBSTITUTED NAPHTHYL P38ALPHA MITOGEN-ACTIVATED PROTEIN KINASE INHIBITORS GEN1E Lifesciences Inc. (US) 2024-02-07 EP disclosed
WO-2022204046-A1 SUBSTITUTED NAPHTHYL P38ALPHA MITOGEN-ACTIVATED PROTEIN KINASE INHIBITORS GEN1E LIFESCIENCES INC. (US) 2022-09-29 WO disclosed
WO-2022072401-A1 SMALL MOLECULE INHIBITORS OF CORONAVIRUS ATTACHMENT AND ENTRY, METHODS AND USES THEREOF UNIVERSITY OF MIAMI (US) 2022-04-07 WO disclosed