SCHEMBL20327582

SCHEMBL20327582

Nc1nc2c(ncn2[C@H]2CC[C@@H](COCP(=O)(O)O)O2)c(=O)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HPRT1 P00492 11/20 0.56
▸ POLB P06746 1/20 0.53
▸ NT5E P21589 1/20 0.52
▸ PNP P00491 5/20 0.51
▸ ALDH1A1 P00352 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ ALB P02768 1/20 0.49
▸ MAPK1 P28482 1/20 0.49

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
SCHEMBL3894678 0.89 POLB (0.59) HPRT1POLBNT5EPNPALDH1A1
SCHEMBL21417495 0.89 POLB (0.59) HPRT1POLBNT5EPNPALDH1A1
SCHEMBL20758514 0.89 POLB (0.59) HPRT1POLBNT5EPNPALDH1A1
SCHEMBL18837841 0.89 POLB (0.59) HPRT1POLBNT5EPNPALDH1A1
SCHEMBL26196385 0.88 ALDH1A1 (0.55) HPRT1POLBNT5EPNPALDH1A1
SCHEMBL19145773 0.88 POLB (0.56) HPRT1POLBNT5EPNPALDH1A1
SCHEMBL23679527 0.87 POLB (0.56) HPRT1POLBNT5EPNPALDH1A1
SCHEMBL21896070 0.87 POLB (0.56) HPRT1POLBNT5EPNPALDH1A1
SCHEMBL16221582 0.87 POLB (0.56) HPRT1POLBNT5EPNPALDH1A1
SCHEMBL16221580 0.87 POLB (0.56) HPRT1POLBNT5EPNPALDH1A1

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-2018118665-A1 CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT MERCK SHARP & DOHME CORP. (US) 2018-06-28 — — WO disclosed
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