SCHEMBL28849841

SCHEMBL28849841

CCOC(=O)CNS(=O)(=O)c1ccc(C(=O)O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
PKM P14618 1/20 0.62
MEP1B Q16820 2/20 0.60
SMN1; SMN2 Q16637 3/20 0.52
GAA P10253 2/20 0.52
KDM4E B2RXH2 2/20 0.52
NPC1 O15118 1/20 0.52
HPGD P15428 1/20 0.52
RAB9A P51151 1/20 0.52
TSHR P16473 2/20 0.52
KMT2A Q03164 2/20 0.50
LMNA P02545 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL257480 0.86 ALDH1A1 (0.67) ALDH1A1PKMSMN1; SMN2GAAKDM4E
SCHEMBL6506619 0.84 ALDH1A1 (0.64) ALDH1A1PKMMEP1BSMN1; SMN2GAA
SCHEMBL7261912 0.84 ALDH1A1 (0.64) ALDH1A1PKMSMN1; SMN2GAAKDM4E
SCHEMBL2064456 0.83 ALDH1A1 (0.57) ALDH1A1PKMMEP1BSMN1; SMN2GAA
SCHEMBL7345656 0.82 ALDH1A1 (0.62) ALDH1A1PKMMEP1BSMN1; SMN2GAA
SCHEMBL13917758 0.82 ALDH1A1 (0.62) ALDH1A1PKMMEP1BSMN1; SMN2GAA
SCHEMBL7669283 0.81 MEP1B (0.58) ALDH1A1PKMMEP1BSMN1; SMN2GAA
SCHEMBL7673648 0.80 PKM (0.63) ALDH1A1PKMMEP1BSMN1; SMN2GAA
SCHEMBL7670111 0.80 LMNA (0.70) ALDH1A1PKMSMN1; SMN2GAANPC1
SCHEMBL22492367 0.80 ALDH1A1 (0.60) ALDH1A1PKMSMN1; SMN2GAAKDM4E

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-115109011-B Benzothiazole compound, preparation method and application 河北师范大学 2023-12-15 CN disclosed
CN-115109011-A Benzothiazole compound, preparation method and application 河北师范大学 2022-09-27 CN disclosed