SCHEMBL28924670

SCHEMBL28924670

CC1=Nc2ccccc2C(C=O)N1c1ccc(S)cc1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 3/20 0.34
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31

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
SCHEMBL28961930 0.82 NOS3 (0.31) NOS3NOS1NOS2
SCHEMBL27813729 0.74 NOS3 (0.36) CACNA1GSMN1; SMN2NOS3NOS1NOS2
SCHEMBL27271568 0.71 CACNA1G (0.39) CACNA1GGAARAB9ANOS3NOS1
SCHEMBL28450556 0.69 CACNA1G (0.40) CACNA1GMAPTSMN1; SMN2NOS3NOS1
SCHEMBL28795572 0.69
SCHEMBL27432961 0.69 CACNA1G (0.32) CACNA1GNOS3NOS1NOS2
SCHEMBL27881629 0.67 CACNA1G (0.36) CACNA1GSMN1; SMN2
SCHEMBL27701767 0.64 LMNA (0.32) SMN1; SMN2NOS3NOS1NOS2
SCHEMBL28130372 0.63 ALDH1A1 (0.34) CACNA1GMAPTRAB9ASMN1; SMN2NOS3
SCHEMBL27777917 0.63 CACNA1G (0.44) CACNA1GNOS3NOS1NOS2

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