SCHEMBL28924646

SCHEMBL28924646

Cc1nc2ccc(F)cc2c(=O)n1-c1ccc(S)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.71
▸ HRH3 Q9Y5N1 3/20 0.57
▸ KCNH2 Q12809 2/20 0.57
▸ HPD P32754 2/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ GLA P06280 1/20 0.51
▸ TDO2 P48775 2/20 0.50
▸ IDO2 Q6ZQW0 2/20 0.50
▸ IDO1 P14902 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ HDAC1 Q13547 1/20 0.49
▸ HDAC2 Q92769 1/20 0.49
▸ HDAC10 Q969S8 1/20 0.49
▸ HDAC11 Q96DB2 1/20 0.49
▸ HDAC8 Q9BY41 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.49
▸ MAPK1 P28482 1/20 0.47
▸ ESR1 P03372 1/20 0.47
▸ ESR2 Q92731 1/20 0.47
▸ MAPT P10636 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
SCHEMBL30149472 1.00 POLB (0.71) POLBHRH3KCNH2HPDL3MBTL1
SCHEMBL28961933 0.89 POLB (0.60) POLBHRH3KCNH2HPDL3MBTL1
SCHEMBL29110427 0.88 POLB (0.73) POLBHRH3KCNH2HPDL3MBTL1
SCHEMBL30089869 0.88 POLB (0.73) POLBHRH3KCNH2HPDL3MBTL1
SCHEMBL22238067 0.87 POLB (0.72) POLBHRH3KCNH2HPDL3MBTL1
SCHEMBL8307781 0.86 POLB (0.71) POLBHRH3KCNH2HPDL3MBTL1
SCHEMBL28924733 0.86 POLB (0.75) POLBHRH3KCNH2HPDNPC1
SCHEMBL18332822 0.82 POLB (0.65) POLBHRH3KCNH2HPDL3MBTL1
SCHEMBL28924705 0.82 HRH3 (0.62) POLBHRH3KCNH2HPDNPC1
SCHEMBL28924692 0.81 POLB (0.50) POLBHRH3KCNH2HPDL3MBTL1

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
Send feedback