SCHEMBL28599875

SCHEMBL28599875

CCOC(=O)C(C(=O)c1cc(F)c(Cl)nc1Cl)C(=C=O)Nc1c(C)ccnc1C(C)C

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 8/20 0.35
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL28599872 0.90 DHODH (0.37) DHODHKEAP1NFE2L2KMT2A
SCHEMBL31020499 0.83 DHODH (0.33) DHODH
SCHEMBL30800345 0.77 KEAP1 (0.35) DHODHKEAP1NFE2L2
SCHEMBL28611549 0.77 KEAP1 (0.35) DHODHKEAP1NFE2L2
SCHEMBL29742278 0.75 GAA (0.39) DHODHKEAP1NFE2L2MEN1KMT2A
SCHEMBL29742271 0.75 GAA (0.39) DHODHKEAP1NFE2L2MEN1KMT2A
SCHEMBL20560749 0.75 GAA (0.39) DHODHKEAP1NFE2L2MEN1KMT2A
SCHEMBL9686323 0.75 KEAP1 (0.51) KEAP1NFE2L2MEN1KMT2ATDP1
SCHEMBL25414127 0.73 DHODH (0.34) DHODH
SCHEMBL29962647 0.73 DHODH (0.34) DHODH

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-112920183-A Compounds as KRAS-G12C inhibitors and uses thereof 南京圣和药业股份有限公司 2021-06-08 CN disclosed