SCHEMBL30577632

SCHEMBL30577632

Cc1cn(COCC[Si](C)(C)C)c2c(CN3C[C@H](C)C[C@H](C)C3)cc(C(=O)O)nc12

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 4/20 0.42
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ BRPF1 P55201 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ DGAT1 O75907 3/20 0.31
▸ MDM2 Q00987 2/20 0.31
▸ SMN1; SMN2 Q16637 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
SCHEMBL30577606 0.92 KLKB1 (0.39) KLKB1MEN1KMT2ABRPF1DGAT1
SCHEMBL30540453 0.90 KLKB1 (0.39) KLKB1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL30577672 0.83 KLKB1 (0.36) KLKB1MEN1KMT2ABRPF1
SCHEMBL31115338 0.82 KDM4E (0.36) KLKB1MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL30540610 0.82 KDM4E (0.36) KLKB1MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL30540580 0.80 KLKB1 (0.37) KLKB1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL30577653 0.80 KLKB1 (0.36) KLKB1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL30540490 0.78 GPR35 (0.40) KLKB1DGAT1MDM2
SCHEMBL31115342 0.74 GRM2 (0.35) KLKB1MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL31115364 0.74 KLKB1 (0.33) KLKB1MEN1KMT2AALDH1A1L3MBTL1

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
WO-2023151641-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BEIGENE , LTD. (KY) 2023-08-17 — — WO disclosed
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