SCHEMBL21539922

SCHEMBL21539922

O=c1[nH]cnc2c1ncn2C1CCC(COP(=O)(O)O[C@H]2CC(n3cnc4c(=O)[nH]cnc43)OC2COP(=O)(O)O)O1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.57
▸ LMNA P02545 1/20 0.57
▸ ALB P02768 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ P2RX3 P56373 1/20 0.52
▸ P2RY1 P47900 1/20 0.49
▸ TYMP P19971 1/20 0.47
▸ ADORA3 P0DMS8 1/20 0.44
▸ POLB P06746 1/20 0.43

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
SCHEMBL21540035 0.94 ALDH1A1 (0.51) ALDH1A1LMNAALBMAPK1P2RY1
SCHEMBL21539898 0.94 ALDH1A1 (0.51) ALDH1A1LMNAALBMAPK1P2RY1
SCHEMBL21539867 0.94 ALDH1A1 (0.51) ALDH1A1LMNAALBMAPK1P2RY1
SCHEMBL20325281 0.90 ALDH1A1 (0.46) ALDH1A1LMNAALBMAPK1P2RX3
SCHEMBL20327576 0.89 ALDH1A1 (0.71) ALDH1A1LMNAALBMAPK1P2RX3
SCHEMBL21417219 0.89 ALDH1A1 (0.71) ALDH1A1LMNAALBMAPK1P2RX3
SCHEMBL20782763 0.88 POLB (0.58) P2RY1POLB
SCHEMBL21636993 0.87 ALDH1A1 (0.48) ALDH1A1LMNAALBMAPK1POLB
SCHEMBL25582525 0.86 RNASEL (0.57) P2RY1POLB
SCHEMBL21540023 0.85 ALDH1A1 (0.46) ALDH1A1LMNAALBMAPK1POLB

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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