SCHEMBL13524851

SCHEMBL13524851

C=C(N)c1ncn([C@@H]2O[C@H](CO)[C@@H](OC)[C@H]2O)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.58
▸ PNP P00491 4/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ ALDH1A1 P00352 3/20 0.58
▸ TSHR P16473 2/20 0.58
▸ THPO P40225 2/20 0.58
▸ PMP22 Q01453 2/20 0.58
▸ ADORA1 P30542 2/20 0.58
▸ GLA P06280 1/20 0.58
▸ EIF4E P06730 1/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ TOP1 P11387 1/20 0.58
▸ ADORA2A P29274 1/20 0.36
▸ ADORA2B P29275 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ BLM P54132 2/20 0.36
▸ TP53 P04637 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ GAA P10253 1/20 0.36

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
SCHEMBL13524854 1.00 LMNA (0.58) LMNAPNPSMN1; SMN2ALDH1A1TSHR
SCHEMBL13524858 0.91 LMNA (0.58) LMNAPNPSMN1; SMN2ALDH1A1TSHR
SCHEMBL13524852 0.91 LMNA (0.58) LMNAPNPSMN1; SMN2ALDH1A1TSHR
SCHEMBL14546644 0.89 LMNA (0.74) LMNAPNPSMN1; SMN2ALDH1A1TSHR
SCHEMBL12149577 0.87 ADORA1 (0.49) LMNAPNPSMN1; SMN2ALDH1A1TSHR
SCHEMBL12149594 0.87 ADORA1 (0.49) LMNAPNPSMN1; SMN2ALDH1A1TSHR
SCHEMBL13524856 0.82 LMNA (0.56) LMNAPNPSMN1; SMN2ALDH1A1TSHR
SCHEMBL13524853 0.82 LMNA (0.56) LMNAPNPSMN1; SMN2ALDH1A1TSHR
SCHEMBL15031296 0.80 LMNA (0.74) LMNAPNPSMN1; SMN2ALDH1A1TSHR
SCHEMBL12149581 0.78 ADORA1 (0.49) LMNAPNPSMN1; SMN2ALDH1A1TSHR

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
US-7645747-B2 Improved pharmacokinetic properties, oral bioavailability; side effect reduction GILEAD SCIENCES, INC. (US) 2010-01-12 — — US disclosed
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