SCHEMBL21540023

SCHEMBL21540023

CCP(O)OCC1OC(n2cnc3c(=O)[nH]cnc32)C[C@@H]1OP(=O)(O)OCC1CCC(n2cnc3c(N)ncnc32)O1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ ALB P02768 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ DTYMK P23919 2/20 0.45
▸ STING1 Q86WV6 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ RNASEL Q05823 1/20 0.42

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
SCHEMBL21539898 0.91 ALDH1A1 (0.51) ALDH1A1LMNAALBMAPK1POLB
SCHEMBL21539867 0.91 ALDH1A1 (0.51) ALDH1A1LMNAALBMAPK1POLB
SCHEMBL21540035 0.91 ALDH1A1 (0.51) ALDH1A1LMNAALBMAPK1POLB
SCHEMBL21636993 0.89 ALDH1A1 (0.48) ALDH1A1LMNAALBMAPK1DTYMK
SCHEMBL21540016 0.86 ALDH1A1 (0.51) ALDH1A1LMNAALBMAPK1DTYMK
SCHEMBL21539917 0.86 ALDH1A1 (0.51) ALDH1A1LMNAALBMAPK1DTYMK
SCHEMBL21539922 0.85 ALDH1A1 (0.57) ALDH1A1LMNAALBMAPK1POLB
SCHEMBL25582525 0.84 RNASEL (0.57) POLBRNASEL
SCHEMBL21539899 0.84 ALDH1A1 (0.49) ALDH1A1LMNAALBMAPK1DTYMK
SCHEMBL20325281 0.84 ALDH1A1 (0.46) ALDH1A1LMNAALBMAPK1RNASEL

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-3233882-B1 FLUORINATED CYCLIC DINUCLEOTIDES FOR CYTOKINE INDUCTION KAYLA THERAPEUTICS (FR) 2019-10-30 — — EP disclosed
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