SCHEMBL29280984

SCHEMBL29280984

Cc1ccc(-c2ccccc2S(N)(=O)=O)c(COC(C)C)c1-c1ccon1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.35
EDNRA P25101 1/20 0.35
ALOX5AP P20292 3/20 0.34
FEN1 P39748 3/20 0.34
P2RX3 P56373 1/20 0.33
F2 P00734 1/20 0.30
F10 P00742 1/20 0.30
PRSS1 P07477 1/20 0.30
MDM2 Q00987 1/20 0.30

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
SCHEMBL29281019 0.89 ALOX5AP (0.34) ALOX5APFEN1F2F10MDM2
SCHEMBL29281006 0.87 ALOX5AP (0.33) ALOX5APFEN1F2F10PRSS1
SCHEMBL29280972 0.86 ALOX5AP (0.34) ALOX5APFEN1MDM2
SCHEMBL29280986 0.80 P2RX3 (0.38) EDNRBEDNRAP2RX3MDM2
SCHEMBL3828659 0.72 CA2 (0.41) ALOX5APFEN1
SCHEMBL23235485 0.71 MDM2 (0.38) MDM2
SCHEMBL30295779 0.70 EDNRB (0.38) EDNRBEDNRAALOX5APFEN1
SCHEMBL29281020 0.69 TP53 (0.32) MDM2
SCHEMBL29281008 0.68 TP53 (0.31) MDM2
SCHEMBL29280974 0.68 PTGS1 (0.31) MDM2

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
CN-117836294-A Biological antagonist containing aromatic ring, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-04-05 CN disclosed