SCHEMBL24744938

SCHEMBL24744938

COC(=O)c1cccc2c1nc(C)n2CCOCCCOCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 1/20 0.42
▸ TLR7 Q9NYK1 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.39
▸ PARP1 P09874 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ PDE6D O43924 1/20 0.37
▸ PTAFR P25105 1/20 0.37
▸ TEAD3 Q99594 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ GAA P10253 2/20 0.37
▸ PKM P14618 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL31090560 1.00 TLR8 (0.42) TLR8TLR7KDM4EPARP1MAPT
SCHEMBL24744935 0.94 KDM4E (0.41) TLR8TLR7KDM4EPARP1MAPT
SCHEMBL31090576 0.94 KDM4E (0.41) TLR8TLR7KDM4EPARP1MAPT
SCHEMBL31090561 0.86 SMN1; SMN2 (0.41) KDM4EMAPTALDH1A1PTAFR
SCHEMBL24744939 0.86 SMN1; SMN2 (0.41) KDM4EMAPTALDH1A1PTAFR
SCHEMBL24744943 0.85 KDM4E (0.39) KDM4EMAPTALDH1A1GAAKMT2A
SCHEMBL31090550 0.85 KDM4E (0.39) KDM4EMAPTALDH1A1GAAKMT2A
SCHEMBL31090638 0.84 MAPT (0.38) KDM4EMAPTALDH1A1
SCHEMBL24745731 0.82 KDM4E (0.42) KDM4EMAPTALDH1A1GAAMEN1
SCHEMBL24744940 0.82 MAPT (0.41) KDM4EMAPTALDH1A1GAALMNA

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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