SCHEMBL31246004

SCHEMBL31246004

CC(C)(C)OC(=O)NCCCNC(=O)c1cc(N)cc(N)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
CA1 P00915 8/20 0.45
CA2 P00918 8/20 0.45
CA12 O43570 5/20 0.45
CA9 Q16790 5/20 0.45
STK17B O94768 1/20 0.43
STK17A Q9UEE5 1/20 0.43
CCNC P24863 1/20 0.42
CDK8 P49336 1/20 0.42
CSNK2A2 P19784 1/20 0.41
CSNK2A1 P68400 1/20 0.41

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
SCHEMBL31245898 0.97 TDP1 (0.49) TDP1MAOAMAOBMEN1GAA
SCHEMBL20758236 0.91 CSNK1D (0.45) TDP1MAOAMAOBMEN1GAA
SCHEMBL22767691 0.90 TDP1 (0.56) TDP1MAOAMAOBMEN1GAA
SCHEMBL21637520 0.88 TDP1 (0.47) TDP1MAOAMAOBMEN1GAA
SCHEMBL12319334 0.88 SMN1; SMN2 (0.46) TDP1MEN1KMT2ACA1CA2
SCHEMBL3758446 0.86 ESRRG (0.53) TDP1MAOAMAOBMEN1GAA
SCHEMBL14158944 0.83 ALDH1A1 (0.57) TDP1MAOAMAOBMEN1GAA
SCHEMBL31245976 0.83 TDP1 (0.49) TDP1MAOAMAOBMEN1GAA
SCHEMBL29780267 0.83 ESRRG (0.53) TDP1MAOAMAOBCA1CA2
SCHEMBL22939550 0.82 TDP1 (0.55) TDP1MAOAMAOBCA1CA2

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
EP-4687854-A2 LIPIDS AND LIPID-LIKE COMPOUNDS FOR THERAPEUTIC LIPID NANOPARTICLE (LNP) DELIVERY Flagship Labs 114, Inc. (US) 2026-02-11 EP disclosed
WO-2024211865-A2 LIPIDS AND LIPID-LIKE COMPOUNDS FOR THERAPEUTIC LIPID NANOPARTICLE (LNP) DELIVERY OMEGA THERAPEUTICS, INC. (US) 2024-10-10 WO disclosed