SCHEMBL24258545

SCHEMBL24258545

OC[C@@H]1C[C@@H](O)[C@H](n2cnc3c2ncn2ccnc32)O1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 1/20 0.51
▸ TAS1R1 Q7RTX1 1/20 0.51
▸ P2RX3 P56373 1/20 0.47
▸ P2RX2 Q9UBL9 1/20 0.47
▸ SLC29A1 Q99808 1/20 0.46
▸ HIF1A Q16665 1/20 0.39

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
SCHEMBL20908479 0.87 TAS1R3 (0.48) TAS1R3TAS1R1P2RX3P2RX2SLC29A1
SCHEMBL15629327 0.82 TAS1R3 (0.48) TAS1R3TAS1R1P2RX3P2RX2SLC29A1
SCHEMBL21423035 0.80 HIF1A (0.60) HIF1A
SCHEMBL19666769 0.80 HIF1A (0.60) HIF1A
SCHEMBL14628598 0.80 HIF1A (0.60) HIF1A
SCHEMBL13058825 0.80 HIF1A (0.60) HIF1A
SCHEMBL20908480 0.79 ALDH1A1 (0.58) TAS1R3TAS1R1P2RX3P2RX2
SCHEMBL29642159 0.79 TAS1R3 (0.70) TAS1R3TAS1R1P2RX3P2RX2SLC29A1
SCHEMBL24919980 0.79 TAS1R3 (0.70) TAS1R3TAS1R1P2RX3P2RX2SLC29A1
SCHEMBL98800 0.77 SLC29A1 (0.56) SLC29A1HIF1A

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-3752516-B1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS BRISTOL MYERS SQUIBB CO (US) 2022-02-23 — — EP disclosed
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