SCHEMBL6829146

SCHEMBL6829146

CC(C)OC[C@H]1O[C@@H](n2cnc3c(N)nc(N)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HINT1 P49773 2/20 0.67
▸ NT5E P21589 1/20 0.66
▸ ADORA2A P29274 8/20 0.64
▸ ADORA2B P29275 7/20 0.64
▸ ADORA3 P0DMS8 6/20 0.63
▸ ADORA1 P30542 1/20 0.58
▸ CA1 P00915 1/20 0.57
▸ CA2 P00918 1/20 0.57
▸ CA4 P22748 1/20 0.57
▸ CA9 Q16790 1/20 0.57

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
SCHEMBL1699648 0.90 HINT1 (0.55) HINT1NT5EADORA2AADORA2BADORA3
SCHEMBL12673434 0.90 HINT1 (0.55) HINT1NT5EADORA2AADORA2BADORA3
SCHEMBL12807374 0.90 HINT1 (0.55) HINT1NT5EADORA2AADORA2BADORA3
SCHEMBL2614694 0.90 HINT1 (0.55) HINT1NT5EADORA2AADORA2BADORA3
SCHEMBL22002019 0.88 HINT1 (0.56) HINT1NT5EADORA2AADORA2BADORA3
SCHEMBL4454099 0.88 ADORA3 (0.80) HINT1NT5EADORA2AADORA2BADORA3
SCHEMBL12443734 0.88 ADORA3 (0.80) HINT1NT5EADORA2AADORA2BADORA3
SCHEMBL1938203 0.88 ADORA3 (0.80) HINT1NT5EADORA2AADORA2BADORA3
SCHEMBL7435435 0.86 AHCY (0.71) NT5EADORA2AADORA2BADORA3ADORA1
SCHEMBL846034 0.85 ADORA2A (0.58) HINT1ADORA2AADORA2BADORA3ADORA1

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
US-20040214198-A1 Allele-targeted RNA interference UNIVERSITY OF MASSACHUSETTS 2004-10-28 — — US disclosed
WO-2004046324-A2 ALLELE-TARGETED RNA INTERFERENCE UNIVERSITY OF MASSACHUSETTS (US) 2004-06-03 — — WO disclosed
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