SCHEMBL17193423

SCHEMBL17193423

CC[C@]1(CO)O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.55
▸ HINT1 P49773 4/20 0.53
▸ NT5E P21589 1/20 0.49
▸ STING1 Q86WV6 3/20 0.48
▸ PDE3B Q13370 1/20 0.48
▸ PDE3A Q14432 1/20 0.48
▸ TAAR1 Q96RJ0 1/20 0.47
▸ HPGD P15428 2/20 0.47
▸ GSK3A P49840 2/20 0.46
▸ RPS6KA3 P51812 2/20 0.46
▸ MAPK14 Q16539 2/20 0.46
▸ TGM2 P21980 1/20 0.45

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
SCHEMBL562134 0.94 ADORA3 (0.59) ADORA3HINT1NT5ESTING1PDE3B
SCHEMBL562135 0.94 ADORA3 (0.59) ADORA3HINT1NT5ESTING1PDE3B
SCHEMBL12851722 0.92 ADORA3 (0.53) ADORA3HINT1NT5ESTING1PDE3B
SCHEMBL25401067 0.90 ADORA3 (0.51) ADORA3HINT1NT5ESTING1PDE3B
SCHEMBL15070633 0.90 ADORA3 (0.51) ADORA3HINT1NT5ESTING1PDE3B
SCHEMBL1375404 0.90 ADORA3 (0.55) ADORA3HINT1NT5ESTING1PDE3B
SCHEMBL25400020 0.90 ADORA3 (0.55) ADORA3HINT1NT5ESTING1PDE3B
SCHEMBL1375398 0.90 ADORA3 (0.55) ADORA3HINT1NT5ESTING1PDE3B
SCHEMBL22266762 0.88 HINT1 (0.50) ADORA3HINT1NT5ESTING1PDE3B
SCHEMBL14946268 0.85 ADORA3 (0.59) ADORA3HINT1NT5ESTING1PDE3B

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-9580708-B2 Multimeric oligonucleotides compounds RANA THERAPEUTICS, INC. (US) 2017-02-28 — — US disclosed
US-20150299695-A1 MULTIMERIC OLIGONUCLEOTIDES COMPOUNDS RANA THERAPEUTICS, INC. (US) 2015-10-22 — — US disclosed
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