SCHEMBL31436080

SCHEMBL31436080

CC(C)(C)OC(=O)NCCCNc1nc(NCCO)nc(NCCCNC(=O)OC(C)(C)C)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.58
STK17B O94768 1/20 0.53
STK17A Q9UEE5 1/20 0.53
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
GAA P10253 1/20 0.48
ADORA2A P29274 2/20 0.47
ADORA1 P30542 2/20 0.47
ADORA2B P29275 1/20 0.47
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
BRD4 O60885 5/20 0.44
CA12 O43570 3/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA9 Q16790 3/20 0.43
HTT P42858 1/20 0.42
BCHE P06276 1/20 0.41
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL31436112 0.94 TDP1 (0.62) TDP1STK17BSTK17AKMT2AMEN1
SCHEMBL31436060 0.94 STK17B (0.58) TDP1STK17BSTK17AKMT2AMEN1
SCHEMBL31436071 0.93 TDP1 (0.69) TDP1STK17BSTK17AKMT2AMEN1
SCHEMBL31436097 0.87 STK17B (0.50) TDP1STK17BSTK17AKMT2AMEN1
SCHEMBL31436059 0.87 STK17B (0.62) TDP1STK17BSTK17AKMT2AMEN1
SCHEMBL16134193 0.86 STK17B (0.51) TDP1STK17BSTK17AKMT2AMEN1
SCHEMBL31436049 0.86 TDP1 (0.49) TDP1STK17BSTK17AKMT2AMEN1
SCHEMBL31436103 0.85 STK17B (0.50) TDP1STK17BSTK17AKMT2AMEN1
SCHEMBL17564533 0.84 STK17B (0.62) TDP1STK17BSTK17AKMT2AMEN1
SCHEMBL31436100 0.84 TDP1 (0.47) TDP1STK17BSTK17AKMT2AMEN1

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-2025088570-A1 IONIZABLE LIPIDS AND IONIZABLE LIPID NANOPARTICLES CRISPR THERAPEUTICS AG (CH) 2025-05-01 WO disclosed