SCHEMBL28616319

SCHEMBL28616319

Brc1cccc(CNc2nsc3ccccc23)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 8/20 0.60
APP P05067 2/20 0.54
MAPT P10636 2/20 0.46
AURKA O14965 1/20 0.46
RPS6KB1 P23443 1/20 0.46
EGFR P00533 1/20 0.45
ACHE P22303 1/20 0.44
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
THRB P10828 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL29870974 1.00 EPAS1 (0.60) EPAS1APPMAPTAURKARPS6KB1
SCHEMBL13202702 0.86 EPAS1 (0.52) EPAS1APPMAPTACHE
SCHEMBL29870643 0.83 AURKA (0.46) EPAS1MAPTAURKARPS6KB1ACHE
SCHEMBL29870793 0.83 ACHE (0.44) EPAS1APPMAPTACHELMNA
SCHEMBL29871039 0.83 APP (0.54) EPAS1APPACHEMAPK1HTT
SCHEMBL28616350 0.83 APP (0.54) EPAS1APPACHEMAPK1HTT
SCHEMBL29870666 0.83 CCNE2 (0.55) EPAS1APPMAPTAURKARPS6KB1
SCHEMBL28613603 0.83 ACHE (0.44) EPAS1APPMAPTACHELMNA
SCHEMBL28629152 0.83 AURKA (0.46) EPAS1MAPTAURKARPS6KB1ACHE
SCHEMBL28623278 0.83 ACHE (0.44) EPAS1MAPTEGFRACHELMNA

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-113292510-B Benzisothiazole compound for inhibiting hypoxia inducible factor 2 activity, preparation method and application thereof 中国药科大学 2022-08-26 CN disclosed
CN-113292510-A Benzisothiazole compound for inhibiting hypoxia inducible factor 2 activity, preparation method and application thereof 中国药科大学 2021-08-24 CN disclosed