SCHEMBL29281012

SCHEMBL29281012

Cc1cccc(-c2ccccc2COC(C)C)c1S(=O)(=O)Nc1noc(C)c1C

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 5/20 0.40
EDNRB P24530 3/20 0.40
CCNT1 O60563 1/20 0.38
CDK9 P50750 1/20 0.38
BRD4 O60885 1/20 0.36
AGTR1 P30556 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
KAT7 O95251 2/20 0.34
KAT6B Q8WYB5 2/20 0.34
KAT6A Q92794 2/20 0.34
KAT5 Q92993 1/20 0.34
KAT8 Q9H7Z6 1/20 0.34
POLB P06746 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
SCHEMBL29280982 0.89 CCNT1 (0.41) EDNRAEDNRBCCNT1CDK9BRD4
SCHEMBL30296201 0.87 EDNRA (0.51) EDNRAEDNRBAGTR1
SCHEMBL29281018 0.84 EDNRA (0.37) EDNRAEDNRBCCNT1CDK9BRD4
SCHEMBL29280988 0.83 EDNRA (0.36) EDNRAEDNRBCCNT1CDK9BRD4
SCHEMBL29281011 0.80 EDNRA (0.44) EDNRAEDNRBAGTR1
SCHEMBL30296014 0.76 EDNRB (0.36) EDNRAEDNRBALDH1A1LMNA
SCHEMBL30296109 0.75 EDNRA (0.48) EDNRAEDNRBCCNT1CDK9AGTR1
SCHEMBL30171018 0.73 EDNRA (0.56) EDNRAEDNRBCCNT1CDK9AGTR1
SCHEMBL30296080 0.72 EDNRA (0.46) EDNRAEDNRBCCNT1CDK9AGTR1
SCHEMBL29280981 0.70 EDNRA (0.44) EDNRAEDNRBCCNT1CDK9AGTR1

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