SCHEMBL24505783

SCHEMBL24505783

CCNC(=O)OCC1OC(n2cnc3c(SCc4ccc(O)cc4)ncnc32)C(O)C1O

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 14/20 0.64
▸ HINT1 P49773 1/20 0.59
▸ STAT6 P42226 1/20 0.58
▸ ADORA1 P30542 1/20 0.57
▸ TP53 P04637 1/20 0.57
▸ CYP3A4 P08684 1/20 0.57
▸ HIF1A Q16665 1/20 0.57
▸ ABCC4 O15439 1/20 0.57
▸ SLC28A3 Q9HAS3 1/20 0.57
▸ BLM P54132 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
SCHEMBL20435031 0.92 SLC29A1 (0.72) SLC29A1HINT1STAT6ADORA1TP53
SCHEMBL20435030 0.91 SLC29A1 (0.60) SLC29A1STAT6ADORA1TP53CYP3A4
SCHEMBL24505727 0.85 ADORA1 (0.65) SLC29A1HINT1ADORA1TP53
SCHEMBL24505763 0.85 SLC29A1 (0.70) SLC29A1STAT6TP53CYP3A4HIF1A
SCHEMBL20434985 0.85 SLC29A1 (0.70) SLC29A1STAT6TP53CYP3A4HIF1A
SCHEMBL1000840 0.80 HINT1 (0.78) HINT1ADORA1
SCHEMBL7226454 0.80 HINT1 (0.78) HINT1ADORA1
SCHEMBL24505864 0.80 SLC29A1 (0.57) SLC29A1TP53CYP3A4HIF1AABCC4
SCHEMBL29697175 0.78 ADORA1 (0.66) SLC29A1ADORA1
SCHEMBL20435005 0.78 ADORA1 (0.66) SLC29A1ADORA1

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
EP-3573996-B1 COMPOUND WITH ANALGESIC EFFECT FOR USE IN PREVENTION AND TREATMENT OF PAIN ACADEMIA SINICA (TW) 2022-06-15 — — EP disclosed
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