SCHEMBL11004850

SCHEMBL11004850

CC(=O)OC[C@H]1O[C@@H](c2nc(C(N)=O)c(O)[nH]2)[C@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.50
▸ PTPN1 P18031 1/20 0.46
▸ ALDH1A1 P00352 5/20 0.44
▸ LMNA P02545 3/20 0.43
▸ THRB P10828 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ CA12 O43570 9/20 0.41
▸ CA1 P00915 9/20 0.41
▸ CA2 P00918 9/20 0.41
▸ CA9 Q16790 7/20 0.41
▸ CYP2D6 P10635 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ CA4 P22748 6/20 0.40
▸ CA5A P35218 6/20 0.40
▸ CA7 P43166 6/20 0.40
▸ CA5B Q9Y2D0 6/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ HPGD P15428 3/20 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
SCHEMBL5426234 0.83 TSHR (0.45) TSHRPTPN1ALDH1A1LMNATHRB
SCHEMBL10999362 0.82 TSHR (0.50) TSHRPTPN1ALDH1A1LMNATHRB
SCHEMBL3815688 0.82 TSHR (0.53) TSHRPTPN1ALDH1A1LMNATHRB
SCHEMBL1846805 0.80 TSHR (0.52) TSHRPTPN1ALDH1A1LMNATHRB
SCHEMBL9232014 0.76 TSHR (0.48) TSHRPTPN1ALDH1A1LMNATHRB
SCHEMBL8595566 0.75 TSHR (0.47) TSHRPTPN1ALDH1A1LMNATHRB
SCHEMBL8595649 0.75 TSHR (0.47) TSHRPTPN1ALDH1A1LMNATHRB
SCHEMBL9232024 0.75 TSHR (0.47) TSHRPTPN1ALDH1A1LMNATHRB
SCHEMBL6884785 0.74 ALDH1A1 (0.52) TSHRPTPN1ALDH1A1LMNATHRB
SCHEMBL11407341 0.74 TSHR (0.54) TSHRPTPN1ALDH1A1LMNATHRB

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-0155164-A2 Novel cyanoimidazole nucleoside derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1985-09-18 — — EP disclosed
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