SCHEMBL30577653

SCHEMBL30577653

C[C@H]1CCCN(Cc2cc(C(=O)O)nc3c(C#N)cn(COCC[Si](C)(C)C)c23)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 1/20 0.36
▸ KDM4E B2RXH2 6/20 0.34
▸ HRH3 Q9Y5N1 4/20 0.33
▸ HRH2 P25021 1/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ LMNA P02545 3/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ POLB P06746 2/20 0.31
▸ TDP1 Q9NUW8 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ ALOX12 P18054 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ TAAR1 Q96RJ0 1/20 0.31
▸ CD274 Q9NZQ7 1/20 0.31

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
SCHEMBL30577554 0.92 GRM2 (0.33) KLKB1KDM4EHRH3HRH2HRH1
SCHEMBL30540453 0.90 KLKB1 (0.39) KLKB1KDM4EHRH3L3MBTL1LMNA
SCHEMBL30540580 0.88 KLKB1 (0.37) KLKB1KDM4EHRH3L3MBTL1LMNA
SCHEMBL31115338 0.83 KDM4E (0.36) KLKB1KDM4EHRH3L3MBTL1LMNA
SCHEMBL30540610 0.83 KDM4E (0.36) KLKB1KDM4EHRH3L3MBTL1LMNA
SCHEMBL30540679 0.81 KLKB1 (0.38) KLKB1KDM4EHRH3L3MBTL1LMNA
SCHEMBL31115364 0.80 KLKB1 (0.33) KLKB1KDM4EHRH3L3MBTL1LMNA
SCHEMBL31115342 0.80 GRM2 (0.35) KLKB1KDM4EHRH3L3MBTL1LMNA
SCHEMBL30540464 0.80 KLKB1 (0.33) KLKB1KDM4EHRH3L3MBTL1LMNA
SCHEMBL30540583 0.80 GRM2 (0.35) KLKB1KDM4EHRH3L3MBTL1LMNA

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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