SCHEMBL31362086

SCHEMBL31362086

[O-][S+]1c2ccccc2Nc2cc(Cl)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.46
ACHE P22303 2/20 0.46
NOX1 Q9Y5S8 1/20 0.46
CHEK1 O14757 2/20 0.42
CCNB2 O95067 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
GSK3B P49841 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
CCNB3 Q8WWL7 1/20 0.34
CES1 P23141 2/20 0.33
CMA1 P23946 1/20 0.33
AHR P35869 1/20 0.33
CYP2A6 P11509 1/20 0.32
LIMK1 P53667 1/20 0.32
CHRM1 P11229 3/20 0.31
DRD2 P14416 3/20 0.31
CYP1A2 P05177 2/20 0.31
CHRM2 P08172 2/20 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
SCHEMBL11369902 1.00 BCHE (0.46) BCHEACHENOX1CHEK1CCNB2
SCHEMBL15502223 0.89 CHEK1 (0.42) BCHEACHENOX1CHEK1CCNB2
SCHEMBL29610326 0.82 GAA (0.40) BCHEACHENOX1CYP1A2CYP3A4
SCHEMBL342511 0.82 GAA (0.40) BCHEACHENOX1CYP1A2CYP3A4
SCHEMBL4709047 0.82 TP53 (0.35) BCHEACHENOX1CHEK1CES1
SCHEMBL30771770 0.80 GAA (0.39) BCHEACHENOX1CYP1A2CYP3A4
SCHEMBL9004465 0.79 CSNK1G1 (0.42) NOX1CCNB2CDK1CCNB1GSK3B
SCHEMBL4709361 0.75 TP53 (0.35) BCHEACHENOX1CHEK1CES1
SCHEMBL20551035 0.75 NOX1 (0.50) NOX1CHEK1CCNB2CDK1CCNB1
SCHEMBL31614597 0.73 GAA (0.43) NOX1CCNB2CDK1CCNB1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115919872-B Application of tricyclic compound and pharmaceutical composition containing tricyclic compound 中国药科大学 2025-02-07 CN disclosed