SCHEMBL30296336

SCHEMBL30296336

Cc1onc(NS(=O)(=O)c2ccccc2Br)c1F

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 11/20 0.56
EDNRB P24530 8/20 0.56
BRD4 O60885 1/20 0.49
FBP1 P09467 1/20 0.39

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
SCHEMBL5321684 1.00 EDNRA (0.56) EDNRAEDNRBBRD4FBP1
SCHEMBL29280990 0.93 EDNRA (0.50) EDNRAEDNRBBRD4
SCHEMBL5529599 0.86 EDNRA (0.63) EDNRAEDNRBBRD4
SCHEMBL30171185 0.86 EDNRA (0.63) EDNRAEDNRBBRD4
SCHEMBL5330400 0.84 EDNRA (0.56) EDNRAEDNRBBRD4FBP1
SCHEMBL30844573 0.84 EDNRA (0.56) EDNRAEDNRBBRD4FBP1
SCHEMBL5324233 0.78 EDNRA (0.56) EDNRAEDNRBBRD4FBP1
SCHEMBL26688897 0.75 EDNRA (0.63) EDNRAEDNRB
SCHEMBL30844532 0.74 EDNRA (0.52) EDNRAEDNRB
SCHEMBL27419865 0.74 EDNRA (0.52) 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 2 patents. 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
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