SCHEMBL18503560

SCHEMBL18503560

CCC(O)C(NC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)C1O)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.59
▸ SLC29A1 Q99808 2/20 0.59
▸ ALDH1A1 P00352 1/20 0.59
▸ GLA P06280 1/20 0.59
▸ PMP22 Q01453 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ NPC1 O15118 1/20 0.59
▸ NPY1R P25929 1/20 0.59
▸ HTT P42858 1/20 0.59
▸ NPY2R P49146 1/20 0.59
▸ RAB9A P51151 1/20 0.59
▸ RXFP1 Q9HBX9 1/20 0.59
▸ CYP1A2 P05177 1/20 0.59
▸ TSHR P16473 1/20 0.59
▸ NFKB1 P19838 1/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ CYP2C19 P33261 1/20 0.59
▸ THPO P40225 1/20 0.59

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
SCHEMBL63155 0.91 ADORA3 (0.59) LMNAALDH1A1GLAPMP22SMN1; SMN2
SCHEMBL10883899 0.91 ADORA3 (0.59) LMNAALDH1A1GLAPMP22SMN1; SMN2
SCHEMBL9275302 0.91 ADORA3 (0.59) LMNAALDH1A1GLAPMP22SMN1; SMN2
SCHEMBL7893576 0.91 ADORA3 (0.59) LMNAALDH1A1GLAPMP22SMN1; SMN2
SCHEMBL2530355 0.91 ADORA3 (0.59) LMNAALDH1A1GLAPMP22SMN1; SMN2
SCHEMBL10927483 0.91 ADORA3 (0.59) LMNAALDH1A1GLAPMP22SMN1; SMN2
SCHEMBL18503542 0.91 ADORA3 (0.59) LMNAALDH1A1GLAPMP22SMN1; SMN2
SCHEMBL10883918 0.91 ADORA3 (0.59) LMNAALDH1A1GLAPMP22SMN1; SMN2
SCHEMBL63154 0.91 ADORA3 (0.59) LMNAALDH1A1GLAPMP22SMN1; SMN2
SCHEMBL15158098 0.84 SLC29A1 (0.65) SLC29A1

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-20170044619-A1 PROFILING CHEMICALLY MODIFIED DNA/RNA UNITS FOR DISEASE AND CANCER DIAGNOSIS THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK 2017-02-16 — — US disclosed
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