SCHEMBL28614754

SCHEMBL28614754

O=C(Nc1nsc2cc(Br)ccc12)c1ccccc1F

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.52
TP53 P04637 2/20 0.47
GPR35 Q9HC97 1/20 0.46
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
HTT P42858 1/20 0.43
LMNA P02545 2/20 0.42
NPC1 O15118 5/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
RXFP1 Q9HBX9 1/20 0.41
KAT6A Q92794 2/20 0.41
GAA P10253 2/20 0.41
PKM P14618 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
MAPT P10636 1/20 0.40

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
SCHEMBL29891295 1.00 THRB (0.52) THRBTP53GPR35KMT2AMEN1
SCHEMBL28597952 0.88 LMNA (0.50) THRBTP53KMT2AMEN1TDP1
SCHEMBL29891336 0.88 LMNA (0.50) THRBTP53KMT2AMEN1TDP1
SCHEMBL29891729 0.85 KCNMA1 (0.53) TP53KMT2AMEN1TDP1HTT
SCHEMBL28596889 0.85 EPAS1 (0.48) THRBTP53GPR35KMT2ALMNA
SCHEMBL28602172 0.85 KCNMA1 (0.53) TP53KMT2AMEN1TDP1HTT
SCHEMBL29891344 0.85 EPAS1 (0.48) THRBTP53GPR35KMT2ALMNA
SCHEMBL29891484 0.84 MEN1 (0.51) THRBTP53KMT2AMEN1TDP1
SCHEMBL28597946 0.84 MEN1 (0.51) THRBTP53KMT2AMEN1TDP1
SCHEMBL28919431 0.78 KCNMA1 (0.53) TP53KMT2AMEN1TDP1HTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022242462-A1 BENZOISOTHIAZOLE HYPOXIA-INDUCIBLE FACTOR-2 AGONIST COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT, PREPARATION METHOD AND APPLICATION THEREOF 中国药科大学 2022-11-24 WO disclosed
CN-113200938-B Benzisothiazole hypoxia inducible factor 2 agonist compound or pharmaceutically acceptable salt thereof, preparation method and application 中国药科大学 2022-08-26 CN disclosed
CN-113200938-A Benzisothiazole hypoxia inducible factor 2 agonist compound or pharmaceutically acceptable salt thereof, preparation method and application 中国药科大学 2021-08-03 CN disclosed