SCHEMBL29110406

SCHEMBL29110406

Cc1nc2cc(Br)ccc2c(=O)n1-c1ccc(O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 2/20 0.58
▸ ESR2 Q92731 1/20 0.58
▸ MAPT P10636 2/20 0.56
▸ ATM Q13315 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.54
▸ HDAC3 O15379 1/20 0.52
▸ APP P05067 1/20 0.52
▸ HDAC4 P56524 1/20 0.52
▸ HDAC1 Q13547 1/20 0.52
▸ HDAC7 Q8WUI4 1/20 0.52
▸ HDAC2 Q92769 1/20 0.52
▸ HDAC10 Q969S8 1/20 0.52
▸ HDAC11 Q96DB2 1/20 0.52
▸ HDAC8 Q9BY41 1/20 0.52
▸ HDAC6 Q9UBN7 1/20 0.52
▸ HDAC9 Q9UKV0 1/20 0.52
▸ HDAC5 Q9UQL6 1/20 0.52
▸ MAPK1 P28482 1/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ TP53 P04637 1/20 0.50

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
SCHEMBL29110444 0.89 MAPT (0.69) ESR1ESR2MAPTATMHSD17B10
SCHEMBL30089877 0.89 MAPT (0.69) ESR1ESR2MAPTATMHSD17B10
SCHEMBL30089874 0.89 MAPT (0.69) ESR1ESR2MAPTATMHSD17B10
SCHEMBL29154640 0.87 HSD17B10 (0.63) MAPTATMHSD17B10HDAC3APP
SCHEMBL29110434 0.86 POLB (0.60) ESR1ESR2HSD17B10HDAC3APP
SCHEMBL29110476 0.83 POLB (0.61) ESR1ESR2HSD17B10HDAC3APP
SCHEMBL29110467 0.83 KMT2A (0.60) ESR1ESR2HSD17B10HDAC3APP
SCHEMBL2118476 0.80 MAPK1 (0.76) ESR1ESR2HSD17B10MAPK1SMN1; SMN2
SCHEMBL7171020 0.79 POLB (0.67) MAPTATMHSD17B10HDAC1HDAC2
SCHEMBL9336504 0.78 MAPK1 (0.70) HSD17B10MAPK1SMN1; SMN2TP53POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115521262-B Preparation method of quinazolinone containing phenyl and composition thereof, and application of quinazolinone and composition in resisting kiwi fruit canker 贵州理工学院 2024-04-05 — — CN claimed
CN-115677803-B Preparation method of glycoside derivative containing quinazoline structure and composition thereof and application of glycoside derivative and composition for preventing and treating kiwi fruit canker 贵州理工学院 2025-03-28 — — CN disclosed
CN-115521262-B Preparation method of quinazolinone containing phenyl and composition thereof, and application of quinazolinone and composition in resisting kiwi fruit canker 贵州理工学院 2024-04-05 — — CN disclosed
CN-115677803-A Preparation method of glucoside derivative containing quinazoline structure, preparation method of composition of glucoside derivative and application of composition in prevention and treatment of kiwifruit canker 贵州理工学院 2023-02-03 — — CN disclosed
CN-115521262-A Preparation method of phenyl-containing quinazolinone and composition thereof and application of phenyl-containing quinazolinone in resisting kiwifruit canker 贵州理工学院 2022-12-27 — — CN disclosed
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