SCHEMBL30824263

SCHEMBL30824263

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERAP1 Q9NZ08 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
P2RX3 P56373 1/20 0.33
PYGL P06737 1/20 0.32
HPGD P15428 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL30824260 1.00 ERAP1 (0.36) ERAP1MEN1KMT2APOLBAPEX1
SCHEMBL29189448 0.90 MAPT (0.41) MEN1KMT2APOLBAPEX1HPGD
SCHEMBL29189530 0.89 CA1 (0.36) MEN1KMT2APOLBAPEX1CA1
SCHEMBL29189524 0.88 MEN1 (0.35) MEN1KMT2APOLBAPEX1P2RX3
SCHEMBL30824268 0.88 MEN1 (0.35) MEN1KMT2APOLBAPEX1P2RX3
SCHEMBL29189472 0.88 MEN1 (0.35) MEN1KMT2APOLBAPEX1P2RX3
SCHEMBL29189548 0.87 PPOX (0.37) MEN1KMT2AHPGDLMNAMAPT
SCHEMBL29189421 0.87 PPOX (0.37) MEN1KMT2AHPGDLMNAMAPT
SCHEMBL30824261 0.87 PPOX (0.37) MEN1KMT2AHPGDLMNAMAPT
SCHEMBL30824269 0.86 CA2 (0.40) MEN1KMT2ACA1CA2PYGL

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