SCHEMBL28114059

SCHEMBL28114059

COC(Cc1nc2ccccc2s1)S(=O)(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ MAPT P10636 5/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ PKM P14618 3/20 0.48
▸ POLB P06746 1/20 0.48
▸ SMN1; SMN2 Q16637 6/20 0.48
▸ NPC1 O15118 4/20 0.48
▸ RAB9A P51151 4/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ UBE2T Q9NPD8 1/20 0.45
▸ ASIC3 Q9UHC3 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ HPGD P15428 1/20 0.44
▸ ALOX15 P16050 2/20 0.44

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
SCHEMBL29096740 0.78 SMN1; SMN2 (0.50) CYP1A2CYP2C19MAPTALDH1A1KMT2A
SCHEMBL292002 0.75 SMN1; SMN2 (0.50) CYP1A2CYP2C19MAPTALDH1A1KMT2A
SCHEMBL28795915 0.75 SMN1; SMN2 (0.69) CYP1A2CYP2C19MAPTALDH1A1KMT2A
SCHEMBL1412772 0.74 KDM4E (0.52) CYP1A2CYP2C19MAPTALDH1A1KMT2A
SCHEMBL12213527 0.73 UBE2T (0.56) CYP1A2CYP2C19MAPTALDH1A1KMT2A
SCHEMBL29690519 0.73 UBE2T (0.56) CYP1A2CYP2C19MAPTALDH1A1KMT2A
SCHEMBL2662248 0.73 UBE2T (0.59) CYP1A2CYP2C19MAPTALDH1A1KMT2A
SCHEMBL16684118 0.72 CYP1A2 (0.56) CYP1A2CYP2C19MAPTALDH1A1KMT2A
SCHEMBL19987767 0.71 HPGD (0.61) CYP1A2CYP2C19MAPTALDH1A1KMT2A
SCHEMBL9222555 0.71 UBE2T (0.50) CYP1A2CYP2C19MAPTALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106316980-B 2- (sulfo-2-methoxyethyl) benzothiazole and preparation method and application thereof 红河学院 2021-02-05 — — CN claimed
CN-106316980-B 2- (sulfo-2-methoxyethyl) benzothiazole and preparation method and application thereof 红河学院 2021-02-05 — — CN disclosed
CN-106316980-B 2- (sulfo-2-methoxyethyl) benzothiazole and preparation method and application thereof 红河学院 2021-02-05 — — CN disclosed
CN-106316980-B 2- (sulfo-2-methoxyethyl) benzothiazole and preparation method and application thereof 红河学院 2021-02-05 — — CN disclosed
CN-106316980-A 2-(sulfo-2-methoxyethyl)benzothiazole and its preparation method and use 红河学院 2017-01-11 — — CN disclosed
CN-106316980-A 2-(sulfo-2-methoxyethyl)benzothiazole and its preparation method and use 红河学院 2017-01-11 — — CN disclosed
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