SCHEMBL24258539

SCHEMBL24258539

O=c1c2ncn([C@@H]3O[C@H](CO)C[C@H]3O)c2nc2[nH]ccn12

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 1/20 0.42
▸ HPGD P15428 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ ALB P02768 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ NT5E P21589 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ PAX8 Q06710 1/20 0.35

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
SCHEMBL4528206 0.82 PNP (0.54) LMNA
SCHEMBL20908767 0.82 ALDH1A1 (0.59) HPGDALDH1A1LMNAALBMAPK1
SCHEMBL4858272 0.82 HPGD (0.59) HPGDLMNANT5EPAX8
SCHEMBL22577530 0.79 HPGD (0.48) SLC29A1HPGDLMNANT5EPAX8
SCHEMBL20547890 0.79 ADORA2A (0.55) SLC29A1HPGDLMNANT5EPAX8
SCHEMBL646777 0.77 CYP1A2 (0.46) SLC29A1LMNANT5ECYP1A2
SCHEMBL20547587 0.77 MEN1 (0.48) HPGDLMNAPAX8
SCHEMBL4370984 0.76 CYP1A2 (0.45) SLC29A1LMNANT5ECYP1A2
SCHEMBL6858256 0.76 CYP1A2 (0.45) SLC29A1LMNANT5ECYP1A2
SCHEMBL24258664 0.76 LMNA (0.42) ALDH1A1LMNANT5E

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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