SCHEMBL31344191

SCHEMBL31344191

FC(F)(F)c1ccc(C2=NCCc3sccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.46
NISCH Q9Y2I1 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
KIF11 P52732 4/20 0.37
CYP11B1 P15538 3/20 0.36
CYP11B2 P19099 3/20 0.36
CHRM1 P11229 1/20 0.36
CASP3 P42574 1/20 0.35
FBP1 P09467 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
TNKS O95271 1/20 0.33
PARP1 P09874 1/20 0.33
WNT3A P56704 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
PARP2 Q9UGN5 1/20 0.33

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
SCHEMBL12158623 0.85 NOS2 (0.46) NOS2NISCHKIF11NPSR1
SCHEMBL17807494 0.83 NOS2 (0.50) NOS2
SCHEMBL31344313 0.80 NOS2 (0.42) NOS2L3MBTL1KIF11CASP3FBP1
SCHEMBL12158615 0.80 NOS2 (0.50) NOS2NISCHCHRM1
SCHEMBL16865684 0.80 NOS2 (0.50) NOS2NISCHCHRM1NPSR1
SCHEMBL17807492 0.79 NOS2 (0.53) NOS2CHRM1NPSR1
SCHEMBL3056563 0.74 NOS3 (0.45) NOS2NISCHKIF11CHRM1NPSR1
SCHEMBL8214663 0.74 NOS2 (0.55) NOS2L3MBTL1
SCHEMBL31344192 0.72 CHRM1 (0.40) NISCHKIF11CYP11B1CYP11B2CHRM1
SCHEMBL16866585 0.72 MAPK10 (0.49) NOS2NISCHCYP11B1CYP11B2NPSR1

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-119306742-A Arylpiperidine compound and preparation method, pharmaceutical composition and application thereof 中国药科大学 2025-01-14 CN disclosed