SCHEMBL18503542

SCHEMBL18503542

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

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 2/20 0.59
▸ ADORA2A P29274 2/20 0.59
▸ ALDH1A1 P00352 2/20 0.59
▸ PMP22 Q01453 2/20 0.59
▸ TP53 P04637 1/20 0.59
▸ CYP3A4 P08684 1/20 0.59
▸ TSHR P16473 1/20 0.59
▸ ALOX12 P18054 1/20 0.59
▸ NFKB1 P19838 1/20 0.59
▸ HIF1A Q16665 1/20 0.59
▸ HPGD P15428 1/20 0.59
▸ NPC1 O15118 1/20 0.59
▸ ADORA2B P29275 1/20 0.59
▸ ADORA1 P30542 1/20 0.59
▸ RAB9A P51151 1/20 0.59
▸ RXFP1 Q9HBX9 1/20 0.59
▸ LMNA P02545 1/20 0.58
▸ GLA P06280 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58

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
SCHEMBL2530355 1.00 ADORA3 (0.59) ADORA3ADORA2AALDH1A1PMP22TP53
SCHEMBL10883918 1.00 ADORA3 (0.59) ADORA3ADORA2AALDH1A1PMP22TP53
SCHEMBL9275302 1.00 ADORA3 (0.59) ADORA3ADORA2AALDH1A1PMP22TP53
SCHEMBL63155 1.00 ADORA3 (0.59) ADORA3ADORA2AALDH1A1PMP22TP53
SCHEMBL10927483 1.00 ADORA3 (0.59) ADORA3ADORA2AALDH1A1PMP22TP53
SCHEMBL7893576 1.00 ADORA3 (0.59) ADORA3ADORA2AALDH1A1PMP22TP53
SCHEMBL63154 1.00 ADORA3 (0.59) ADORA3ADORA2AALDH1A1PMP22TP53
SCHEMBL10883899 1.00 ADORA3 (0.59) ADORA3ADORA2AALDH1A1PMP22TP53
SCHEMBL18503560 0.91 LMNA (0.59) ALDH1A1PMP22TSHRNFKB1NPC1
SCHEMBL1572862 0.89 ADORA3 (0.49) ADORA3ADORA2AALDH1A1PMP22TP53

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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