SCHEMBL27419956

SCHEMBL27419956

Bc1c(COCC)cccc1S(=O)(=O)Nc1noc(C)c1C

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 7/20 0.45
AGTR1 P30556 1/20 0.45
BRD4 O60885 1/20 0.38
EDNRB P24530 3/20 0.37
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34

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
SCHEMBL30296230 0.87 EDNRA (0.45) EDNRAAGTR1BRD4EDNRB
SCHEMBL25084422 0.87 EDNRA (0.45) EDNRAAGTR1BRD4EDNRB
SCHEMBL30171018 0.85 EDNRA (0.56) EDNRAAGTR1EDNRBCCNT1CDK9
SCHEMBL30296194 0.79 EDNRA (0.51) EDNRAAGTR1EDNRB
SCHEMBL30844599 0.78 EDNRA (0.46) EDNRAAGTR1EDNRB
SCHEMBL31229092 0.77 EDNRA (0.57) EDNRAAGTR1EDNRB
SCHEMBL31229191 0.77 EDNRA (0.57) EDNRAAGTR1EDNRB
SCHEMBL4287935 0.76 EDNRA (0.61) EDNRAAGTR1EDNRB
SCHEMBL30295907 0.74 EDNRA (0.47) EDNRAAGTR1EDNRB
SCHEMBL30844585 0.74 EDNRA (0.47) EDNRAAGTR1EDNRB

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-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