SCHEMBL24744941

SCHEMBL24744941

COC(=O)c1cccc(NCCOCCCOCc2ccccc2)c1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.45
▸ GLA P06280 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.44
▸ GAA P10253 2/20 0.44
▸ KMT2A Q03164 2/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HTT P42858 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HSD17B10 Q99714 4/20 0.39
▸ HPGD P15428 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ CFTR P13569 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MAPK10 P53779 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ALOX15 P16050 1/20 0.39

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
SCHEMBL24744934 0.93 KDM4E (0.45) KDM4EGLAALDH1A1GAAKMT2A
SCHEMBL30121924 0.83 KDM4E (0.42) KDM4EGLAALDH1A1GAAKMT2A
SCHEMBL24746810 0.83 KDM4E (0.42) KDM4EGLAALDH1A1GAAKMT2A
SCHEMBL2382992 0.82 KDM4E (0.50) KDM4EGLAALDH1A1GAAKMT2A
SCHEMBL30051772 0.79 KDM4E (0.46) KDM4EGLAALDH1A1GAAKMT2A
SCHEMBL29262050 0.77 KDM4E (0.42) KDM4EGLAALDH1A1GAAKMT2A
SCHEMBL30121849 0.77 KDM4E (0.42) KDM4EGLAALDH1A1GAAKMT2A
SCHEMBL2382425 0.74 SMN1; SMN2 (0.47) KDM4EALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL30159238 0.74 HDAC6 (0.36) ALDH1A1SMN1; SMN2HTTLMNAHPGD
SCHEMBL1714602 0.72 NPC1 (0.52) KDM4EGLAALDH1A1SMN1; SMN2HTT

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-2022253713-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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