SCHEMBL29877183

SCHEMBL29877183

Fc1ccc(-c2nc3cc(CNC4CCOCC4)ccn3c2-n2cccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MAP4K4 O95819 1/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ CSNK1D P48730 1/20 0.38
▸ CSNK1E P49674 1/20 0.38
▸ PDCD1 Q15116 1/20 0.37
▸ CD274 Q9NZQ7 1/20 0.37
▸ CHEK1 O14757 1/20 0.36

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
SCHEMBL29876498 0.77 AKT1 (0.44) ALDH1A1
SCHEMBL14561531 0.69 — —
SCHEMBL17605614 0.68 BCHE (0.54) MAP4K4
SCHEMBL29876668 0.68 ALDH1A1 (0.51) KDM4EALDH1A1
SCHEMBL14561533 0.67 — —
SCHEMBL14561464 0.67 — —
SCHEMBL28467365 0.66 CARM1 (0.56) ALDH1A1MAP4K4MAPK1
SCHEMBL14561543 0.65 — —
SCHEMBL375105 0.62 KDM1A (0.48) MAP4K4PDCD1CD274
SCHEMBL8816266 0.62 KDM1A (0.50) ALDH1A1

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-2022213975-A1 COMPOUNDS TARGETING Y220C MUTANT OF P53 JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2022-10-13 — — WO disclosed
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