SCHEMBL9057960

SCHEMBL9057960

CC(C)(C)COC(=O)C1(N)C=CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)N1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ HTT P42858 2/20 0.36
▸ BLM P54132 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ PYGM P11217 1/20 0.36
▸ CDA P32320 3/20 0.35
▸ SLC28A1 O00337 1/20 0.35
▸ SLC28A2 O43868 1/20 0.35
▸ SLC29A1 Q99808 1/20 0.35
▸ SLC28A3 Q9HAS3 1/20 0.35
▸ LMNA P02545 6/20 0.34
▸ MTOR P42345 2/20 0.34
▸ THPO P40225 2/20 0.34
▸ PMP22 Q01453 2/20 0.34
▸ THRB P10828 1/20 0.34
▸ MDM2 Q00987 1/20 0.34
▸ NCOA1 Q15788 1/20 0.34

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
SCHEMBL9057982 0.87 ADORA2A (0.37) SMN1; SMN2PYGMCDASLC28A1SLC28A2
SCHEMBL21357702 0.84 CDA (0.40) SMN1; SMN2ALDH1A1HTTBLMTSHR
SCHEMBL65271 0.84 CDA (0.40) SMN1; SMN2ALDH1A1HTTBLMTSHR
SCHEMBL9213688 0.83 SLC29A1 (0.44) SLC28A1SLC28A2SLC29A1SLC28A3LMNA
SCHEMBL8720503 0.81 CDA (0.38) SMN1; SMN2ALDH1A1HTTBLMTSHR
SCHEMBL29845228 0.78 CDA (0.41) SMN1; SMN2ALDH1A1HTTBLMPYGM
SCHEMBL10903345 0.78 CDA (0.42) SMN1; SMN2ALDH1A1HTTBLMPYGM
SCHEMBL9368753 0.78 TK2 (0.40) SMN1; SMN2ALDH1A1CDALMNAPOLB
SCHEMBL3630509 0.78 LMNA (0.45) SMN1; SMN2ALDH1A1HTTBLMPYGM
SCHEMBL6906558 0.78 LMNA (0.45) SMN1; SMN2ALDH1A1HTTBLMPYGM

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-0602454-B1 N-Oxycarbonyl substituted 5'-deoxy-5-fluorocytidines HOFFMANN LA ROCHE (CH) 1996-04-24 — — EP disclosed
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