SCHEMBL28624490

SCHEMBL28624490

OC[C@H](Nc1nsc2ccccc12)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 5/20 0.50
EGFR P00533 12/20 0.47
AURKA O14965 2/20 0.45
RPS6KB1 P23443 2/20 0.45
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL28613599 1.00 EPAS1 (0.50) EPAS1EGFRAURKARPS6KB1LMNA
SCHEMBL28614372 0.77 EPAS1 (0.54) EPAS1EGFRLMNA
SCHEMBL29871021 0.77 EPAS1 (0.54) EPAS1EGFRLMNA
SCHEMBL16095196 0.72 EPAS1 (0.51) EPAS1LMNASMN1; SMN2
SCHEMBL30002485 0.72 EPAS1 (0.51) EPAS1LMNASMN1; SMN2
SCHEMBL16095195 0.72 EPAS1 (0.51) EPAS1LMNASMN1; SMN2
SCHEMBL5372372 0.69 EPAS1 (0.48) EPAS1LMNA
SCHEMBL13202776 0.69 EPAS1 (0.59) EPAS1SMN1; SMN2
SCHEMBL19667984 0.68 EPAS1 (0.59) EPAS1SMN1; SMN2
SCHEMBL20095129 0.68 MAPKAPK2 (0.54) EGFRRPS6KB1LMNA

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