SCHEMBL28624481

SCHEMBL28624481

Fc1cccc(CNc2nsc3ccccc23)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 1/20 0.55
CCNE1 P24864 1/20 0.55
CDK2 P24941 1/20 0.55
APP P05067 2/20 0.54
MAPT P10636 3/20 0.54
TP53 P04637 2/20 0.54
LMNA P02545 1/20 0.54
EPAS1 Q99814 5/20 0.52
RPS6KB1 P23443 2/20 0.46
AURKA O14965 2/20 0.46
AURKB Q96GD4 2/20 0.46
CASP3 P42574 1/20 0.45
ACHE P22303 1/20 0.44
ABL1 P00519 2/20 0.44
CLK4 Q9HAZ1 2/20 0.44
DAPK3 O43293 1/20 0.44
JAK2 O60674 1/20 0.44
PRKD3 O94806 1/20 0.44
MAP4K4 O95819 1/20 0.44
PAK4 O96013 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
SCHEMBL29870666 1.00 CCNE2 (0.55) CCNE2CCNE1CDK2APPMAPT
SCHEMBL28921675 0.89 CCNE2 (0.49) CCNE2CCNE1CDK2APPMAPT
SCHEMBL29871205 0.89 EPAS1 (0.62) CCNE2CCNE1CDK2APPMAPT
SCHEMBL28921677 0.89 EPAS1 (0.62) CCNE2CCNE1CDK2APPMAPT
SCHEMBL29871428 0.84 EPAS1 (0.52) APPMAPTLMNAEPAS1ACHE
SCHEMBL28624524 0.84 EPAS1 (0.52) APPMAPTLMNAEPAS1ACHE
SCHEMBL28616350 0.83 APP (0.54) APPEPAS1ACHEMAPK8CDC7
SCHEMBL28613603 0.83 ACHE (0.44) APPMAPTTP53LMNAEPAS1
SCHEMBL29870797 0.83 ACHE (0.44) CCNE2CCNE1CDK2MAPTTP53
SCHEMBL29871039 0.83 APP (0.54) APPEPAS1ACHEMAPK8CDC7

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