SCHEMBL20325230

SCHEMBL20325230

Nc1ncnc2c1ccn2[C@H]1CC[C@@H](COP(=O)(O)OC2C[C@@H](COP(=O)(O)O)O[C@H]2n2cnc3c(=O)[nH]cnc32)O1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 2/20 0.46
▸ RNASEL Q05823 4/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ ALB P02768 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ P2RX3 P56373 1/20 0.44
▸ DTYMK P23919 2/20 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
SCHEMBL20324818 0.95 ALDH1A1 (0.50) STING1RNASELALDH1A1LMNAALB
SCHEMBL21540016 0.92 ALDH1A1 (0.51) STING1RNASELALDH1A1LMNAALB
SCHEMBL21539917 0.92 ALDH1A1 (0.51) STING1RNASELALDH1A1LMNAALB
SCHEMBL20325281 0.91 ALDH1A1 (0.46) RNASELALDH1A1LMNAALBMAPK1
SCHEMBL20324882 0.86 RNASEL (0.56) RNASELP2RX3
SCHEMBL20327051 0.85 RNASEL (0.43) STING1RNASELP2RX3DTYMK
SCHEMBL20327591 0.84 FUT5 (0.47) STING1RNASEL
SCHEMBL20325225 0.84 RNASEL (0.47) STING1RNASELDTYMK
SCHEMBL20325238 0.84 RNASEL (0.47) RNASEL
SCHEMBL21539898 0.83 ALDH1A1 (0.51) RNASELALDH1A1LMNAALBMAPK1

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
WO-2018118664-A1 COMBINATIONS OF PD-1 ANTAGONISTS AND CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT MERCK SHARP & DOHME CORP. (US) 2018-06-28 — — WO disclosed
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