SCHEMBL23559986

SCHEMBL23559986

CCCN1CCN(CCOCCOCCOCCNCC(C)C)CC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.34
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 1/20 0.33
USP2 O75604 1/20 0.30
SCN1A P35498 1/20 0.30
SCN2A Q99250 1/20 0.30
SCN3A Q9NY46 1/20 0.30

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
SCHEMBL23696532 0.89 KDM4E (0.42) HTTTP53SMN1; SMN2KDM4EALDH1A1
SCHEMBL26406493 0.89 KDM4E (0.36) HTTTP53SMN1; SMN2KDM4EALDH1A1
SCHEMBL24672987 0.89 KDM4E (0.42) HTTTP53SMN1; SMN2KDM4EALDH1A1
SCHEMBL24673349 0.89 TP53 (0.34) HTTTP53SMN1; SMN2KDM4EALDH1A1
SCHEMBL25477793 0.87 ALDH1A1 (0.40) TP53SMN1; SMN2KDM4EALDH1A1USP2
SCHEMBL22837636 0.86 SLC2A1 (0.34) HTTTP53SMN1; SMN2KDM4EALDH1A1
SCHEMBL21107593 0.86 SLC2A1 (0.34) HTTTP53SMN1; SMN2KDM4EALDH1A1
SCHEMBL24029376 0.86 CARM1 (0.36) TP53SMN1; SMN2KDM4EALDH1A1SCN1A
SCHEMBL25972118 0.85 HTT (0.34) HTTTP53SMN1; SMN2KDM4EALDH1A1
SCHEMBL23696051 0.84 SLC2A1 (0.35) TP53SMN1; SMN2USP2

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-2021127278-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed