SCHEMBL28629137

SCHEMBL28629137

Nc1nsc2cc(C(F)(F)F)c(F)cc12

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MPL P40238 3/20 0.36
KIF11 P52732 1/20 0.35
TLR4 O00206 1/20 0.35
IDO1 P14902 1/20 0.35
BACE1 P56817 1/20 0.30

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
SCHEMBL29871026 1.00 KDM4E (0.39) KDM4EALDH1A1MAPTHSD17B10MPL
SCHEMBL8269433 0.71 ALDH1A1 (0.41) KDM4EALDH1A1MAPTHSD17B10TLR4
SCHEMBL30487367 0.67 ALDH1A1 (0.53) KDM4EALDH1A1MAPTHSD17B10TLR4
SCHEMBL5679546 0.66 SCN4A (0.54) KDM4EALDH1A1MAPTHSD17B10MPL
SCHEMBL20043179 0.66 GRM4 (0.34)
SCHEMBL15850523 0.65 KIF11 (0.44) MPLKIF11
SCHEMBL29746135 0.64 KIF11 (0.47) ALDH1A1MPLKIF11
SCHEMBL437730 0.64 KIF11 (0.47) ALDH1A1MPLKIF11
SCHEMBL1588990 0.62 KIF11 (0.45) ALDH1A1MPLKIF11
SCHEMBL31069948 0.62 KIF11 (0.45) ALDH1A1MPLKIF11

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