SCHEMBL19717962

SCHEMBL19717962

O=C(OC1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ LGALS9 O00182 2/20 0.46
▸ LGALS1 P09382 2/20 0.46
▸ LGALS3 P17931 2/20 0.46
▸ LGALS7; LGALS7B P47929 1/20 0.46
▸ MAOB P27338 1/20 0.45
▸ TYR P14679 1/20 0.43
▸ SLC28A3 Q9HAS3 1/20 0.43

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
SCHEMBL27510704 0.88 TYR (0.51) LGALS9LGALS1LGALS3LGALS7; LGALS7BMAOB
SCHEMBL28162884 0.85 LGALS9 (0.61) LGALS9LGALS1LGALS3LGALS7; LGALS7BMAOB
SCHEMBL27639803 0.85 LGALS9 (0.61) LGALS9LGALS1LGALS3LGALS7; LGALS7BMAOB
SCHEMBL7138693 0.85 LGALS9 (0.61) LGALS9LGALS1LGALS3LGALS7; LGALS7BMAOB
SCHEMBL7141014 0.85 LGALS9 (0.61) LGALS9LGALS1LGALS3LGALS7; LGALS7BMAOB
SCHEMBL6507790 0.85 LGALS9 (0.61) LGALS9LGALS1LGALS3LGALS7; LGALS7BMAOB
SCHEMBL6570199 0.85 LGALS9 (0.61) LGALS9LGALS1LGALS3LGALS7; LGALS7BMAOB
SCHEMBL7144990 0.85 LGALS9 (0.61) LGALS9LGALS1LGALS3LGALS7; LGALS7BMAOB
SCHEMBL6570202 0.85 LGALS9 (0.61) LGALS9LGALS1LGALS3LGALS7; LGALS7BMAOB
SCHEMBL8762538 0.84 LGALS9 (0.60) LGALS9LGALS1LGALS3LGALS7; LGALS7BMAOB

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
WO-2017218580-A1 SYNTHETIC METHODS FOR THE PREPARATION OF NICOTINAMIDE RIBOSIDE AND RELATED COMPOUNDS REJUVENATION THERAPEUTICS CORPORATION (US) 2017-12-21 — — WO disclosed
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