SCHEMBL29280986

SCHEMBL29280986

Cc1ccc(-c2ccccc2COC(C)C)c(S(N)(=O)=O)c1-c1ccon1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.38
EDNRB P24530 1/20 0.35
EDNRA P25101 1/20 0.35
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
SCHEMBL29281020 0.89 TP53 (0.32) MDM2
SCHEMBL29281008 0.87 TP53 (0.31) MDM2
SCHEMBL29280974 0.87 PTGS1 (0.31) MDM2
SCHEMBL29280984 0.80 EDNRB (0.35) P2RX3EDNRBEDNRAMDM2
SCHEMBL30296014 0.73 EDNRB (0.36) EDNRBEDNRA
SCHEMBL30295779 0.70 EDNRB (0.38) EDNRBEDNRA
SCHEMBL29281019 0.69 ALOX5AP (0.34) MDM2
SCHEMBL29281006 0.68 ALOX5AP (0.33) MDM2
SCHEMBL29280972 0.67 ALOX5AP (0.34) MDM2
SCHEMBL11046847 0.64 CA2 (0.41)

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