SCHEMBL24505864

SCHEMBL24505864

CCNC(=O)OCC1OC(n2cnc3c(SCc4ccc(OC)cc4)ncnc32)C2OC(C)(C)OC12

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 12/20 0.57
▸ TP53 P04637 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ ABCC4 O15439 1/20 0.45
▸ SLC28A3 Q9HAS3 1/20 0.45
▸ BLM P54132 1/20 0.45
▸ RXFP1 Q9HBX9 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
SCHEMBL20435002 0.93 SLC29A1 (0.56) SLC29A1TP53CYP3A4HIF1AABCC4
SCHEMBL20435011 0.93 SLC29A1 (0.56) SLC29A1TP53CYP3A4HIF1AABCC4
SCHEMBL20435031 0.88 SLC29A1 (0.72) SLC29A1TP53CYP3A4HIF1AABCC4
SCHEMBL20434964 0.86 SLC29A1 (0.74) SLC29A1TP53CYP3A4HIF1AABCC4
SCHEMBL20434965 0.86 SLC29A1 (0.74) SLC29A1TP53CYP3A4HIF1AABCC4
SCHEMBL24505728 0.84 ADORA1 (0.49) SLC29A1
SCHEMBL20435042 0.82 SLC29A1 (0.69) SLC29A1TP53CYP3A4HIF1AABCC4
SCHEMBL20435043 0.82 SLC29A1 (0.69) SLC29A1TP53CYP3A4HIF1AABCC4
SCHEMBL24505763 0.80 SLC29A1 (0.70) SLC29A1TP53CYP3A4HIF1AABCC4
SCHEMBL20434985 0.80 SLC29A1 (0.70) SLC29A1TP53CYP3A4HIF1AABCC4

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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