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Sugi Predict / Compounds / SCHEMBL7211513

SCHEMBL7211513

SCHEMBL7211513

CCC(CC)(COC)COC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@@H](OC(C)=O)[C@H]2OC(C)=O)cc1I

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL7205230 0.90 LMNA (0.40) LMNATDP1
SCHEMBL3817265 0.87 LMNA (0.46) LMNATDP1
SCHEMBL7208718 0.86 LMNA (0.55) LMNA
SCHEMBL8197145 0.86 LMNA (0.55) LMNA
SCHEMBL3817191 0.85 LMNA (0.51) LMNATDP1
SCHEMBL3821749 0.84 LMNA (0.56) LMNA
SCHEMBL8194085 0.83 LMNA (0.44) LMNATDP1
SCHEMBL7206807 0.83 LMNA (0.44) LMNATDP1
SCHEMBL3821461 0.83 LMNA (0.59) LMNATDP1
SCHEMBL7209690 0.82 LMNA (0.42) LMNATDP1

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
EP-1060183-B1 5'-DEOXYCYTIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-04-23 — — EP disclosed