SCHEMBL6829145

SCHEMBL6829145

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

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HINT1 P49773 1/20 0.56
▸ HSP90B1 P14625 1/20 0.55
▸ ADORA2A P29274 8/20 0.53
▸ ADORA2B P29275 7/20 0.53
▸ NT5E P21589 1/20 0.52
▸ ADORA3 P0DMS8 4/20 0.52
▸ ADORA1 P30542 1/20 0.49

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
SCHEMBL800299 0.87 HSP90B1 (0.58) HINT1HSP90B1ADORA2AADORA2BNT5E
SCHEMBL226039 0.85 AHCY (0.63) HSP90B1ADORA2AADORA2BADORA3ADORA1
SCHEMBL1275031 0.81 HINT1 (0.58) HINT1NT5E
SCHEMBL18954813 0.81 HINT1 (0.44) HINT1ADORA2AADORA2BNT5EADORA3
SCHEMBL25619503 0.81 DNMT1 (0.56) ADORA2AADORA2BADORA3ADORA1
SCHEMBL25619482 0.81 DNMT1 (0.56) ADORA2AADORA2BADORA3ADORA1
SCHEMBL6829146 0.81 HINT1 (0.67) HINT1ADORA2AADORA2BNT5EADORA3
SCHEMBL19843948 0.80 ADORA3 (0.77) HINT1HSP90B1ADORA2AADORA2BNT5E
SCHEMBL4452559 0.80 ADORA3 (0.77) HINT1HSP90B1ADORA2AADORA2BNT5E
SCHEMBL4452551 0.80 ADORA3 (0.77) HINT1HSP90B1ADORA2AADORA2BNT5E

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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