SCHEMBL28712786

SCHEMBL28712786

CC=CN1c2ccccc2SC1O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 3/20 0.35
▸ MAOA P21397 1/20 0.33
▸ BCHE P06276 6/20 0.33
▸ NOX1 Q9Y5S8 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ KDM1A O60341 1/20 0.30
▸ PTGS1 P23219 1/20 0.30
▸ PTGS2 P35354 1/20 0.30
▸ ACHE P22303 1/20 0.30

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
SCHEMBL32662573 0.72 MAOA (0.43) GSK3BMAOABCHENOX1ALDH1A1
SCHEMBL28714775 0.70 BCHE (0.36) GSK3BMAOABCHENOX1ACHE
SCHEMBL28704042 0.68 BCHE (0.39) GSK3BMAOABCHENOX1ALDH1A1
SCHEMBL4315226 0.64 MAOA (0.54) MAOABCHENOX1ALDH1A1KDM1A
SCHEMBL4315227 0.64 MAOA (0.54) MAOABCHENOX1ALDH1A1KDM1A
SCHEMBL31151816 0.64 MAOA (0.39) GSK3BMAOABCHENOX1ALDH1A1
SCHEMBL8615381 0.62 GSK3B (0.37) GSK3BMAOABCHE
SCHEMBL27885758 0.61 NOTUM (0.40) GSK3BMAOANOX1ALDH1A1MAPT
SCHEMBL9256680 0.61 BCHE (0.34) GSK3BMAOABCHEACHE
SCHEMBL24201529 0.60 NOTUM (0.47) ALDH1A1MAPT

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-109160906-B Application of acryloyl ester compound taking thiazole as matrix as fluorescent probe and preparation method thereof 西北农林科技大学 2022-04-01 — — CN claimed
CN-109160906-B Application of acryloyl ester compound taking thiazole as matrix as fluorescent probe and preparation method thereof 西北农林科技大学 2022-04-01 — — CN disclosed
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