SCHEMBL29593752

SCHEMBL29593752

CS(=O)(=O)N1CCc2cc([Se]c3ccc(F)cc3)ccc21

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
GLA P06280 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
MAPT P10636 2/20 0.48
HPGD P15428 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
PKM P14618 1/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
GAA P10253 1/20 0.44
GFER P55789 1/20 0.44
TP53 P04637 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL29594807 0.86 NPC1 (0.57) POLBGLAMAPTHPGDL3MBTL1
SCHEMBL29594778 0.86 NPC1 (0.57) POLBGLASMN1; SMN2HPGDL3MBTL1
SCHEMBL29593773 0.86 MAPT (0.59) POLBGLASMN1; SMN2MAPTHPGD
SCHEMBL29594256 0.84 TP53 (0.55) POLBGLASMN1; SMN2MAPTHPGD
SCHEMBL29593974 0.81 ALDH1A1 (0.48) POLBGLASMN1; SMN2MAPTHPGD
SCHEMBL29594581 0.78 NPC1 (0.55) POLBGLASMN1; SMN2MAPTHPGD
SCHEMBL5024162 0.73 POLB (0.58) POLBGLASMN1; SMN2HPGDL3MBTL1
SCHEMBL852214 0.72 POLB (0.57) POLBGLASMN1; SMN2HPGDL3MBTL1
SCHEMBL9464873 0.72 POLB (0.57) POLBGLASMN1; SMN2HPGDL3MBTL1
SCHEMBL30264508 0.72 POLB (0.57) POLBGLASMN1; SMN2HPGDL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110003080-B Selenium-containing compound and preparation method and application thereof 成都大学 2022-05-06 CN disclosed