SCHEMBL29812407

SCHEMBL29812407

Cc1cc(F)ccc1-c1c(C)n(C)cc(C(=O)O)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 2/20 0.39
▸ FABP4 P15090 1/20 0.36
▸ FABP5 Q01469 1/20 0.36
▸ P2RY4 P51582 1/20 0.36
▸ KEAP1 Q14145 1/20 0.36
▸ KMT2A Q03164 4/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ USP2 O75604 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ DHFR P00374 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ TTR P02766 1/20 0.35
▸ ALB P02768 1/20 0.35
▸ HMGB1 P09429 1/20 0.35
▸ CXCL12 P48061 1/20 0.35

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
SCHEMBL23147123 1.00 NOTUM (0.39) NOTUMFABP4FABP5P2RY4KEAP1
SCHEMBL23146871 0.90 TTR (0.44) NOTUMKEAP1KMT2AMEN1KDM4E
SCHEMBL29812472 0.90 TTR (0.44) NOTUMKEAP1KMT2AMEN1KDM4E
SCHEMBL29811081 0.88 MAP2K1 (0.39) KMT2AMEN1KDM4EMAP2K2MAP2K1
SCHEMBL29765072 0.85 POLB (0.39) NOTUMFABP4FABP5P2RY4KEAP1
SCHEMBL23147172 0.85 POLB (0.39) NOTUMFABP4FABP5P2RY4KEAP1
SCHEMBL23146682 0.82 TOP2A (0.48) KMT2AMEN1KDM4EHPGDHSD17B10
SCHEMBL29764849 0.82 TOP2A (0.48) KMT2AMEN1KDM4EHPGDHSD17B10
SCHEMBL23147433 0.81 NOTUM (0.42) NOTUMKMT2AMEN1KDM4EHPGD
SCHEMBL23147094 0.78 FABP4 (0.40) NOTUMFABP4FABP5P2RY4KEAP1

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-114787144-A Pyridone compounds and methods for modulating protein kinases 埃克塞里艾克西斯公司 2022-07-22 — — CN disclosed
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