SCHEMBL28924664

SCHEMBL28924664

Cc1nc2c(F)cccc2c(=O)n1-c1ccc(S)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 5/20 0.57
▸ KCNH2 Q12809 4/20 0.57
▸ HDAC1 Q13547 1/20 0.49
▸ HDAC10 Q969S8 1/20 0.49
▸ HDAC8 Q9BY41 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.49
▸ TRPV4 Q9HBA0 8/20 0.48
▸ PDE4A P27815 1/20 0.44
▸ PDE4B Q07343 1/20 0.44
▸ PDE4C Q08493 1/20 0.44
▸ PDE4D Q08499 1/20 0.44
▸ PDE7A Q13946 1/20 0.44
▸ PDE7B Q9NP56 1/20 0.44
▸ POLB P06746 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ HKDC1 Q2TB90 1/20 0.42

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
SCHEMBL30149484 1.00 HRH3 (0.57) HRH3KCNH2HDAC1HDAC10HDAC8
SCHEMBL29110455 0.88 HRH3 (0.58) HRH3KCNH2HDAC1HDAC10HDAC8
SCHEMBL30089872 0.88 HRH3 (0.58) HRH3KCNH2HDAC1HDAC10HDAC8
SCHEMBL28924682 0.86 HRH3 (0.56) HRH3KCNH2HDAC1HDAC10HDAC8
SCHEMBL28924692 0.84 POLB (0.50) HRH3KCNH2HDAC1HDAC10HDAC8
SCHEMBL30149445 0.84 KCNH2 (0.56) HRH3KCNH2HDAC1HDAC10HDAC8
SCHEMBL28924659 0.84 KCNH2 (0.56) HRH3KCNH2HDAC1HDAC10HDAC8
SCHEMBL30149515 0.84 POLB (0.50) HRH3KCNH2HDAC1HDAC10HDAC8
SCHEMBL28924721 0.82 HRH3 (0.60) HRH3KCNH2HDAC1HDAC10HDAC8
SCHEMBL30089881 0.80 HSD17B10 (0.66) HRH3KCNH2HDAC1HDAC10HDAC8

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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