SCHEMBL24258630

SCHEMBL24258630

O=c1c2ncn(C3CCC(CO)O3)c2nc2n(CCc3ccc([N+](=O)[O-])cc3)ccn12

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.46
▸ LMNA P02545 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ ALB P02768 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ SLC29A1 Q99808 8/20 0.40
▸ RAB9A P51151 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL24444132 1.00 CYP1A2 (0.46) CYP1A2LMNAALDH1A1ALBMAPK1
SCHEMBL24258662 0.89 SLC29A1 (0.40) LMNASLC29A1RAB9ACYP3A4PKM
SCHEMBL21264012 0.85 SLC29A1 (0.46) CYP1A2LMNASLC29A1RAB9ACYP3A4
SCHEMBL24258589 0.83 SLC29A1 (0.39) LMNASLC29A1RAB9ACYP3A4PKM
SCHEMBL21263864 0.83 SLC29A1 (0.56) LMNASLC29A1RAB9ACYP3A4PKM
SCHEMBL25688724 0.79 SLC29A1 (0.49) LMNASLC29A1RAB9ACYP3A4PKM
SCHEMBL20908785 0.76 CYP1A2 (0.38) CYP1A2LMNAALDH1A1ALBMAPK1
SCHEMBL20692028 0.76 SLC29A1 (0.47) CYP1A2LMNAALDH1A1ALBMAPK1
SCHEMBL25688725 0.74 SLC29A1 (0.39) LMNASLC29A1RAB9ACYP3A4PKM
SCHEMBL21263857 0.71 LMNA (0.41) LMNASLC29A1RAB9ACYP3A4PKM

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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