SCHEMBL24258568

SCHEMBL24258568

COP(S)OCC1CCC(n2cnc3c(=O)n4cc[nH]c4nc32)O1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ ALB P02768 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CYP1A2 P05177 1/20 0.37
▸ BCHE P06276 1/20 0.32

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
SCHEMBL20908767 0.81 ALDH1A1 (0.59) ALDH1A1LMNAALBMAPK1CYP1A2
SCHEMBL24258540 0.78 ALDH1A1 (0.39) ALDH1A1LMNAALBMAPK1CYP1A2
SCHEMBL24504405 0.76 POLB (0.35) BCHE
SCHEMBL20927136 0.73 BCHE (0.51) ALDH1A1LMNAALBMAPK1CYP1A2
SCHEMBL24258667 0.69 — —
SCHEMBL4528206 0.69 PNP (0.54) LMNA
SCHEMBL20908775 0.68 ALDH1A1 (0.42) ALDH1A1LMNA
SCHEMBL24258664 0.67 LMNA (0.42) ALDH1A1LMNA
SCHEMBL24258539 0.67 SLC29A1 (0.42) ALDH1A1LMNAALBMAPK1CYP1A2
SCHEMBL20758715 0.66 CYP1A2 (0.42) ALDH1A1LMNAALBMAPK1CYP1A2

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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