SCHEMBL24744940

SCHEMBL24744940

COC(=O)c1cccc2c1nc(C)n2CCCOCCO

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 1/20 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
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 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
SCHEMBL31090549 1.00 MAPT (0.41) MAPTKDM4EALDH1A1LMNATP53
SCHEMBL31090561 0.91 SMN1; SMN2 (0.41) MAPTKDM4EALDH1A1PKN1PKN2
SCHEMBL24745731 0.91 KDM4E (0.42) MAPTKDM4EALDH1A1LMNATP53
SCHEMBL24744939 0.91 SMN1; SMN2 (0.41) MAPTKDM4EALDH1A1PKN1PKN2
SCHEMBL24745617 0.90 MAPT (0.41) MAPTKDM4EALDH1A1LMNATP53
SCHEMBL31090578 0.90 MAPT (0.41) MAPTKDM4EALDH1A1LMNATP53
SCHEMBL31090576 0.86 KDM4E (0.41) MAPTKDM4EALDH1A1LMNATP53
SCHEMBL24744935 0.86 KDM4E (0.41) MAPTKDM4EALDH1A1LMNATP53
SCHEMBL31090623 0.86 MAPT (0.40) MAPTKDM4EALDH1A1LMNATP53
SCHEMBL29262088 0.86 MAPT (0.40) MAPTKDM4EALDH1A1LMNATP53

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