SCHEMBL28924717

SCHEMBL28924717

Cc1ccc2c(=O)n(-c3ccc(S)cc3)c(C)nc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.59
▸ KCNH2 Q12809 3/20 0.56
▸ HRH3 Q9Y5N1 3/20 0.56
▸ HDAC3 O15379 1/20 0.50
▸ APP P05067 1/20 0.50
▸ HDAC4 P56524 1/20 0.50
▸ HDAC1 Q13547 1/20 0.50
▸ HDAC7 Q8WUI4 1/20 0.50
▸ HDAC2 Q92769 1/20 0.50
▸ HDAC10 Q969S8 1/20 0.50
▸ HDAC11 Q96DB2 1/20 0.50
▸ HDAC8 Q9BY41 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ HDAC9 Q9UKV0 1/20 0.50
▸ HDAC5 Q9UQL6 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ KMT2A Q03164 1/20 0.48
▸ ESR1 P03372 2/20 0.46
▸ HSD17B10 Q99714 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
SCHEMBL28924733 0.89 POLB (0.75) POLBKCNH2HRH3HDAC1HDAC2
SCHEMBL29110434 0.87 POLB (0.60) POLBKCNH2HRH3HDAC3APP
SCHEMBL28961933 0.86 POLB (0.60) POLBKCNH2HRH3HDAC3APP
SCHEMBL28924732 0.86 KMT2A (0.58) POLBKCNH2HRH3HDAC3APP
SCHEMBL29103865 0.82 MAPK1 (0.70) POLBKCNH2HRH3ALDH1A1MAPK1
SCHEMBL30149472 0.78 POLB (0.71) POLBKCNH2HRH3HDAC1HDAC2
SCHEMBL28924646 0.78 POLB (0.71) POLBKCNH2HRH3HDAC1HDAC2
SCHEMBL2631381 0.76 MAPK1 (0.74) POLBALDH1A1MAPK1HSD17B10SMN1; SMN2
SCHEMBL28924705 0.76 HRH3 (0.62) POLBKCNH2HRH3ALDH1A1MAPK1
SCHEMBL29110419 0.75 POLB (0.77) POLBKCNH2HRH3HDAC1HDAC2

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-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-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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