SCHEMBL29891729

SCHEMBL29891729

O=C(Nc1nsc2cc(Cl)ccc12)c1ccccc1F

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.50
TDP1 Q9NUW8 2/20 0.50
MAPT P10636 2/20 0.50
TP53 P04637 1/20 0.50
RAB9A P51151 5/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
NPC1 O15118 3/20 0.43
HPGD P15428 1/20 0.43
PNLIP P16233 1/20 0.43
RXFP1 Q9HBX9 2/20 0.43
HTT P42858 1/20 0.43
CYP11B2 P19099 1/20 0.42
TRPV1 Q8NER1 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
SCHEMBL28602172 1.00 KCNMA1 (0.53) KCNMA1SMN1; SMN2TDP1MAPTTP53
SCHEMBL28919431 0.90 KCNMA1 (0.53) KCNMA1SMN1; SMN2TDP1MAPTTP53
SCHEMBL28597952 0.88 LMNA (0.50) SMN1; SMN2TDP1MAPTTP53RAB9A
SCHEMBL29891336 0.88 LMNA (0.50) SMN1; SMN2TDP1MAPTTP53RAB9A
SCHEMBL28614754 0.85 THRB (0.52) SMN1; SMN2TDP1MAPTTP53RAB9A
SCHEMBL29891295 0.85 THRB (0.52) SMN1; SMN2TDP1MAPTTP53RAB9A
SCHEMBL29891484 0.84 MEN1 (0.51) SMN1; SMN2TDP1MAPTTP53RAB9A
SCHEMBL28597946 0.84 MEN1 (0.51) SMN1; SMN2TDP1MAPTTP53RAB9A
SCHEMBL29891538 0.76 TRPV1 (0.54) SMN1; SMN2TDP1RAB9ALMNAKMT2A
SCHEMBL28613320 0.76 TRPV1 (0.54) SMN1; SMN2TDP1RAB9ALMNAKMT2A

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
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