SCHEMBL27030597

SCHEMBL27030597

O=C(O)c1cccc(NC(=O)c2sccc2S(=O)(=O)Nc2ccccc2)c1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 8/20 0.66
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
CYP3A4 P08684 1/20 0.52
TSHR P16473 1/20 0.52
EDNRB P24530 4/20 0.52
KDM4E B2RXH2 1/20 0.51
PTK2B Q14289 1/20 0.50
WDR5 P61964 1/20 0.50
FABP4 P15090 1/20 0.50
FABP5 Q01469 1/20 0.50
THRB P10828 1/20 0.50

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
SCHEMBL27030595 0.90 EDNRA (0.61) EDNRAMEN1KMT2AEDNRBKDM4E
SCHEMBL27245351 0.85 NR1H3 (0.64) EDNRATSHR
SCHEMBL29944893 0.85 NR1H3 (0.64) EDNRATSHR
SCHEMBL12293623 0.81 PPARG (0.58) EDNRAKDM4EWDR5FABP4FABP5
SCHEMBL4631551 0.80 EDNRA (1.00) EDNRAEDNRB
SCHEMBL12293612 0.80 MEN1 (0.76) EDNRAMEN1KMT2ACYP3A4TSHR
SCHEMBL12293616 0.78 MEN1 (0.57) EDNRAMEN1KMT2ACYP3A4TSHR
SCHEMBL27245384 0.78 NR1H3 (0.63) EDNRAMEN1KMT2ATSHREDNRB
SCHEMBL29944956 0.78 NR1H3 (0.63) EDNRAMEN1KMT2ATSHREDNRB
SCHEMBL533208 0.78 EDNRA (0.62) EDNRAEDNRB

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
EP-4308554-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING TYPE 2 DIABETES AND DEMENTIA The Board of Trustees of the University of Illinois (US) 2024-01-24 EP disclosed