SCHEMBL24744939

SCHEMBL24744939

COC(=O)c1cccc2c1nc(C)n2CCOCCCO

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ PKN1 Q16512 1/20 0.39
▸ PKN2 Q16513 1/20 0.39
▸ LCK P06239 1/20 0.37
▸ PTGER4 P35408 1/20 0.37
▸ RIPK1 Q13546 1/20 0.36
▸ PIK3CB P42338 1/20 0.36
▸ PTAFR P25105 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
SCHEMBL31090561 1.00 SMN1; SMN2 (0.41) SMN1; SMN2KDM4EMAPTALDH1A1PKN1
SCHEMBL31090549 0.91 MAPT (0.41) KDM4EMAPTALDH1A1PKN1PKN2
SCHEMBL24744940 0.91 MAPT (0.41) KDM4EMAPTALDH1A1PKN1PKN2
SCHEMBL31090550 0.90 KDM4E (0.39) KDM4EMAPTALDH1A1PKN1PKN2
SCHEMBL24744943 0.90 KDM4E (0.39) KDM4EMAPTALDH1A1PKN1PKN2
SCHEMBL24745731 0.87 KDM4E (0.42) SMN1; SMN2KDM4EMAPTALDH1A1PKN1
SCHEMBL31090638 0.86 MAPT (0.38) KDM4EMAPTALDH1A1PKN1PKN2
SCHEMBL24744938 0.86 TLR8 (0.42) KDM4EMAPTALDH1A1PTAFR
SCHEMBL31090560 0.86 TLR8 (0.42) KDM4EMAPTALDH1A1PTAFR
SCHEMBL24745617 0.86 MAPT (0.41) KDM4EMAPTALDH1A1PKN1PKN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117957218-A Targeted protein degradation using bifunctional compounds that bind to ubiquitin ligases and target MCL-1 proteins 凯普托尔治疗学股份有限公司 2024-04-30 — — CN disclosed
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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