SCHEMBL28629152

SCHEMBL28629152

Oc1cccc(CNc2nsc3ccccc23)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.46
RPS6KB1 P23443 1/20 0.46
AURKB Q96GD4 1/20 0.46
ACHE P22303 1/20 0.44
EPAS1 Q99814 6/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
PKM P14618 1/20 0.44
ALOX15 P16050 1/20 0.44
NFKB1 P19838 1/20 0.44
MAPK1 P28482 1/20 0.44
ESR1 P03372 1/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
KMT2A Q03164 1/20 0.43
HIF1A Q16665 1/20 0.43
KDM4E B2RXH2 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
SLC2A4 P14672 1/20 0.42

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
SCHEMBL29870643 1.00 AURKA (0.46) AURKARPS6KB1AURKBACHEEPAS1
SCHEMBL28623278 0.86 ACHE (0.44) ACHEEPAS1MAPTLMNATP53
SCHEMBL29870797 0.86 ACHE (0.44) ACHEEPAS1MAPTLMNATP53
SCHEMBL29870666 0.83 CCNE2 (0.55) AURKARPS6KB1AURKBACHEEPAS1
SCHEMBL29871039 0.83 APP (0.54) ACHEEPAS1MAPK1KMT2A
SCHEMBL28616319 0.83 EPAS1 (0.60) AURKARPS6KB1ACHEEPAS1ALOX15
SCHEMBL29870974 0.83 EPAS1 (0.60) AURKARPS6KB1ACHEEPAS1ALOX15
SCHEMBL28616350 0.83 APP (0.54) ACHEEPAS1MAPK1KMT2A
SCHEMBL28613603 0.83 ACHE (0.44) ACHEEPAS1MAPTLMNAKDM4E
SCHEMBL29870793 0.83 ACHE (0.44) ACHEEPAS1MAPTLMNAKDM4E

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