SCHEMBL24774224

SCHEMBL24774224

Cc1nc2c(CO)cccc2n1CC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ GSK3B P49841 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ THRB P10828 1/20 0.38
▸ TSHR P16473 3/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ SAE1 Q9UBE0 1/20 0.38
▸ UBA2 Q9UBT2 1/20 0.38
▸ HTT P42858 2/20 0.37
▸ PKN1 Q16512 1/20 0.36
▸ PKN2 Q16513 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ PIK3C2B O00750 1/20 0.36
▸ CTNNB1 P35222 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
SCHEMBL24744761 0.83 KDM4E (0.46) ALDH1A1KDM4ETSHRKMT2AHPGD
SCHEMBL30952847 0.83 KDM4E (0.46) ALDH1A1KDM4ETSHRKMT2AHPGD
SCHEMBL24744762 0.81 PKN1 (0.47) ALDH1A1KDM4EGAASMN1; SMN2KMT2A
SCHEMBL29893726 0.81 PKN1 (0.47) ALDH1A1KDM4EGAASMN1; SMN2KMT2A
SCHEMBL20494743 0.80 NR1H2 (0.45) L3MBTL1
SCHEMBL30951936 0.78 ALDH1A1 (0.64) ALDH1A1KDM4EGSK3BGAASMN1; SMN2
SCHEMBL8597440 0.75 KDM4E (0.40) ALDH1A1KDM4ESMN1; SMN2TSHRKMT2A
SCHEMBL24745490 0.74 ALDH1A1 (0.40) ALDH1A1KDM4EGAASMN1; SMN2TSHR
SCHEMBL24744900 0.72 ALDH1A1 (0.38) ALDH1A1KDM4EGAASMN1; SMN2HSD17B10
SCHEMBL9982679 0.72 L3MBTL1 (0.44) ALDH1A1KDM4EL3MBTL1

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-2022255888-A1 TARGETED PROTEIN DEGRADATION USING BIFUNCTIONAL COMPOUNDS THAT BIND UBIQUITIN LIGASE AND TARGET MCL-1 PROTEIN CAPTOR THERAPEUTICS S.A. (PL) 2022-12-08 — — WO disclosed
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