SCHEMBL30824261

SCHEMBL30824261

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

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPOX P50336 2/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DHODH Q02127 8/20 0.34
BAZ2B Q9UIF8 1/20 0.34
BAZ2A Q9UIF9 1/20 0.34
PHGDH O43175 1/20 0.34
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL29189421 1.00 PPOX (0.37) PPOXLMNAMAPTHPGDSMN1; SMN2
SCHEMBL29189548 1.00 PPOX (0.37) PPOXLMNAMAPTHPGDSMN1; SMN2
SCHEMBL29189507 0.90 PPOX (0.36) PPOXLMNAMAPTHPGDSMN1; SMN2
SCHEMBL30824271 0.90 PPOX (0.36) PPOXLMNAMAPTHPGDSMN1; SMN2
SCHEMBL30824268 0.89 MEN1 (0.35) LMNAMAPTHPGDSMN1; SMN2DHODH
SCHEMBL29189524 0.89 MEN1 (0.35) LMNAMAPTHPGDSMN1; SMN2DHODH
SCHEMBL29189472 0.89 MEN1 (0.35) LMNAMAPTHPGDSMN1; SMN2DHODH
SCHEMBL29189419 0.89 CNR1 (0.35) PPOXLMNAMAPTHPGDSMN1; SMN2
SCHEMBL30824262 0.89 CNR1 (0.35) PPOXLMNAMAPTHPGDSMN1; SMN2
SCHEMBL29189448 0.88 MAPT (0.41) LMNAMAPTHPGDSMN1; SMN2DHODH

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