SCHEMBL30824271

SCHEMBL30824271

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

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPOX P50336 2/20 0.36
LMNA P02545 2/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 2/20 0.34
POLB P06746 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
DHODH Q02127 6/20 0.33
BAZ2B Q9UIF8 1/20 0.33
BAZ2A Q9UIF9 1/20 0.33
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
THRB P10828 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
SCHEMBL29189507 1.00 PPOX (0.36) PPOXLMNAMAPTHPGDSMN1; SMN2
SCHEMBL29189405 0.93 CNR1 (0.35) PPOXLMNAMAPTHPGDSMN1; SMN2
SCHEMBL29189419 0.93 CNR1 (0.35) PPOXLMNAMAPTHPGDSMN1; SMN2
SCHEMBL30824262 0.93 CNR1 (0.35) PPOXLMNAMAPTHPGDSMN1; SMN2
SCHEMBL30824259 0.91 CNR1 (0.38) LMNAMAPTHPGDSMN1; SMN2ALDH1A1
SCHEMBL29189594 0.91 CNR1 (0.38) LMNAMAPTHPGDSMN1; SMN2ALDH1A1
SCHEMBL30824261 0.90 PPOX (0.37) PPOXLMNAMAPTHPGDSMN1; SMN2
SCHEMBL29189548 0.90 PPOX (0.37) PPOXLMNAMAPTHPGDSMN1; SMN2
SCHEMBL29189421 0.90 PPOX (0.37) PPOXLMNAMAPTHPGDSMN1; SMN2
SCHEMBL29189417 0.88 POLB (0.34) LMNAMAPTHPGDSMN1; SMN2ALDH1A1

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