SCHEMBL24258662

SCHEMBL24258662

O=c1c2ncn(C3OCC(CO)O3)c2nc2n(CCc3ccc([N+](=O)[O-])cc3)ccn12

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 16/20 0.40
▸ CYP3A4 P08684 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TP53 P04637 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ ABCC4 O15439 1/20 0.36
▸ SLC28A3 Q9HAS3 1/20 0.36

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
SCHEMBL24258630 0.89 CYP1A2 (0.46) SLC29A1CYP3A4LMNARAB9APKM
SCHEMBL24444132 0.89 CYP1A2 (0.46) SLC29A1CYP3A4LMNARAB9APKM
SCHEMBL21264012 0.83 SLC29A1 (0.46) SLC29A1CYP3A4LMNARAB9APKM
SCHEMBL24258589 0.83 SLC29A1 (0.39) SLC29A1CYP3A4LMNARAB9APKM
SCHEMBL21263864 0.83 SLC29A1 (0.56) SLC29A1CYP3A4LMNARAB9APKM
SCHEMBL25688724 0.79 SLC29A1 (0.49) SLC29A1CYP3A4LMNARAB9APKM
SCHEMBL25688725 0.74 SLC29A1 (0.39) SLC29A1CYP3A4LMNARAB9APKM
SCHEMBL21263857 0.71 LMNA (0.41) SLC29A1CYP3A4LMNARAB9APKM
SCHEMBL24322068 0.70 SLC29A1 (0.32) SLC29A1
SCHEMBL20908785 0.70 CYP1A2 (0.38) LMNA

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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