SCHEMBL30296166

SCHEMBL30296166

CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2noc(C)c2Cl)c(COC)c1

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 5/20 0.78
AGTR1 P30556 5/20 0.78
AGTR2 P50052 3/20 0.52
ACHE P22303 4/20 0.49
LTB4R2 Q9NPC1 3/20 0.46
ABCC3 O15438 1/20 0.44
ABCC4 O15439 1/20 0.44
ABCB11 O95342 1/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
HTR2B P41595 1/20 0.44
PDE3A Q14432 1/20 0.44
SLC10A1 Q14973 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
SCHEMBL27422935 1.00 EDNRA (0.78) EDNRAAGTR1AGTR2ACHELTB4R2
SCHEMBL30296001 0.94 EDNRA (0.88) EDNRAAGTR1AGTR2ACHELTB4R2
SCHEMBL25084424 0.94 EDNRA (0.88) EDNRAAGTR1AGTR2ACHELTB4R2
SCHEMBL27423574 0.94 EDNRA (0.87) EDNRAAGTR1AGTR2ACHELTB4R2
SCHEMBL6540125 0.94 EDNRA (0.89) EDNRAAGTR1AGTR2ACHELTB4R2
SCHEMBL30296119 0.93 AGTR1 (0.76) EDNRAAGTR1AGTR2ACHELTB4R2
SCHEMBL25083975 0.93 AGTR1 (0.76) EDNRAAGTR1AGTR2ACHELTB4R2
SCHEMBL25084259 0.93 AGTR1 (0.76) EDNRAAGTR1AGTR2ACHELTB4R2
SCHEMBL25084441 0.93 EDNRA (0.88) EDNRAAGTR1AGTR2ACHELTB4R2
SCHEMBL25084370 0.93 AGTR1 (0.77) EDNRAAGTR1AGTR2ACHELTB4R2

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-4393920-A1 AROMATIC RING-CONTAINING BIOLOGICAL ANTAGONIST, AND PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2024-07-03 EP disclosed
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
WO-2023025277-A1 AROMATIC RING-CONTAINING BIOLOGICAL ANTAGONIST, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2023-03-02 WO disclosed