SCHEMBL6887838

SCHEMBL6887838

CC(=O)OC[C@H]1O[C@@H](c2nc3ncnc(Cl)c3[nH]2)[C@H](OC(C)=O)[C@H]1OC(C)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.49
▸ ALDH1A1 P00352 5/20 0.48
▸ LMNA P02545 4/20 0.48
▸ MAPT P10636 4/20 0.48
▸ TP53 P04637 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ PTPN1 P18031 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ THRB P10828 2/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ KDM4E B2RXH2 3/20 0.41
▸ HPGD P15428 3/20 0.41
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ CA12 O43570 2/20 0.37
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37

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
SCHEMBL6885580 0.88 TSHR (0.47) TSHRALDH1A1LMNAMAPTTP53
SCHEMBL6885775 0.87 TSHR (0.47) TSHRALDH1A1LMNAMAPTTP53
SCHEMBL6886416 0.86 TSHR (0.39) TSHRALDH1A1LMNAMAPTTP53
SCHEMBL11407341 0.85 TSHR (0.54) TSHRALDH1A1LMNAMAPTTP53
SCHEMBL6884785 0.85 ALDH1A1 (0.52) TSHRALDH1A1LMNAMAPTTP53
SCHEMBL8595649 0.84 TSHR (0.47) TSHRALDH1A1LMNAMAPTTP53
SCHEMBL9232024 0.84 TSHR (0.47) TSHRALDH1A1LMNAMAPTTP53
SCHEMBL6746384 0.82 TSHR (0.49) TSHRALDH1A1LMNAMAPTTP53
SCHEMBL6884766 0.81 TSHR (0.44) TSHRALDH1A1LMNAMAPTTP53
SCHEMBL6197791 0.79 TSHR (0.48) TSHRALDH1A1LMNAMAPTTP53

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-1411954-A2 MODIFIED NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION Pharmasset Limited (BB) 2004-04-28 — — EP disclosed
WO-2002032920-A2 MODIFIED NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION PHARMASSET LIMITED (BB) 2002-04-25 — — WO disclosed
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