SCHEMBL28924794

SCHEMBL28924794

Cc1ccc2c(=O)n(-c3ccc(S)cc3)c(C)nc2c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 4/20 0.44
▸ HDAC1 Q13547 2/20 0.43
▸ HDAC10 Q969S8 2/20 0.43
▸ HDAC8 Q9BY41 2/20 0.43
▸ HDAC6 Q9UBN7 2/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ MAPK1 P28482 2/20 0.40
▸ KCNH2 Q12809 2/20 0.40
▸ HRH3 Q9Y5N1 2/20 0.40
▸ GRM1 Q13255 4/20 0.39
▸ TSHR P16473 3/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38

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
SCHEMBL29110432 0.87 ESR1 (0.50) POLBHDAC1HDAC10HDAC8HDAC6
SCHEMBL28924682 0.83 HRH3 (0.56) POLBHDAC1HDAC10HDAC8HDAC6
SCHEMBL28924659 0.78 KCNH2 (0.56) POLBHDAC1HDAC10HDAC8HDAC6
SCHEMBL30149445 0.78 KCNH2 (0.56) POLBHDAC1HDAC10HDAC8HDAC6
SCHEMBL28924664 0.78 HRH3 (0.57) POLBHDAC1HDAC10HDAC8HDAC6
SCHEMBL30149484 0.78 HRH3 (0.57) POLBHDAC1HDAC10HDAC8HDAC6
SCHEMBL29110396 0.77 HSD17B10 (0.62) POLBHDAC1HDAC10HDAC8HDAC6
SCHEMBL30089884 0.77 HSD17B10 (0.62) POLBHDAC1HDAC10HDAC8HDAC6
SCHEMBL30149510 0.77 NPC1 (0.46) POLBHDAC1HDAC10HDAC8HDAC6
SCHEMBL28924735 0.77 NPC1 (0.46) POLBHDAC1HDAC10HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115521261-B Preparation method of mercapto-containing quinazolinone and composition thereof, and application of mercapto-containing quinazolinone in resisting kiwi fruit canker 贵州理工学院 2024-04-05 — — CN disclosed
CN-115636795-B Preparation method of quinazolinone derivative containing thiobenzamide structure and composition thereof, and application of quinazolinone derivative and composition thereof in preventing and treating kiwi fruit canker 贵州理工学院 2024-04-05 — — CN disclosed
CN-115636795-A Quinazolinone derivative containing thiobenzamide structure, composition and application of quinazolinone derivative in prevention and treatment of kiwifruit canker 贵州理工学院 2023-01-24 — — CN disclosed
CN-115521261-A Preparation method of sulfhydryl-containing quinazolinone and composition thereof and application of sulfhydryl-containing quinazolinone in resisting kiwifruit canker 贵州理工学院 2022-12-27 — — CN disclosed
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