SCHEMBL30824262

SCHEMBL30824262

CCOC(=O)[C@@H](NC(=O)c1cc(-n2c(=O)n(C)c(=S)n(C)c2=O)c(F)cc1Cl)[C@@H](C)CC

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
PPOX P50336 2/20 0.35
PSMB5 P28074 1/20 0.34
DHODH Q02127 10/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL29189419 1.00 CNR1 (0.35) CNR1CNR2PPOXPSMB5DHODH
SCHEMBL29189405 1.00 CNR1 (0.35) CNR1CNR2PPOXPSMB5DHODH
SCHEMBL30824271 0.93 PPOX (0.36) CNR1CNR2PPOXDHODHLMNA
SCHEMBL29189507 0.93 PPOX (0.36) CNR1CNR2PPOXDHODHLMNA
SCHEMBL30824269 0.90 CA2 (0.40) PSMB5DHODH
SCHEMBL30824261 0.89 PPOX (0.37) PPOXDHODHLMNAMAPTHPGD
SCHEMBL29189421 0.89 PPOX (0.37) PPOXDHODHLMNAMAPTHPGD
SCHEMBL29189548 0.89 PPOX (0.37) PPOXDHODHLMNAMAPTHPGD
SCHEMBL29189448 0.84 MAPT (0.41) DHODHLMNAMAPTHPGDSMN1; SMN2
SCHEMBL29189594 0.84 CNR1 (0.38) CNR1CNR2LMNAMAPTHPGD

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-117534629-A Triazinone compound and preparation method and application thereof 贵州大学 2024-02-09 CN disclosed