SCHEMBL8885117

SCHEMBL8885117

Nc1nc2c(ncn2C2CC(O)C(O)C2O)c(=O)[nH]1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PNP P00491 2/20 0.60
▸ AHCY P23526 6/20 0.59
▸ ADORA3 P0DMS8 1/20 0.55
▸ STING1 Q86WV6 3/20 0.53
▸ HPRT1 P00492 1/20 0.53
▸ PDE3B Q13370 1/20 0.53
▸ PDE3A Q14432 1/20 0.53
▸ POLB P06746 1/20 0.50
▸ NT5E P21589 1/20 0.48

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
SCHEMBL9877452 0.86 AHCY (0.65) PNPAHCYADORA3STING1HPRT1
SCHEMBL29325364 0.86 AHCY (0.65) PNPAHCYADORA3STING1HPRT1
SCHEMBL9078539 0.86 AHCY (0.65) PNPAHCYADORA3STING1HPRT1
SCHEMBL10767171 0.86 AHCY (0.65) PNPAHCYADORA3STING1HPRT1
SCHEMBL10767166 0.86 AHCY (0.65) PNPAHCYADORA3STING1HPRT1
SCHEMBL29323386 0.86 AHCY (0.65) PNPAHCYADORA3STING1HPRT1
SCHEMBL1713028 0.86 AHCY (0.65) PNPAHCYADORA3STING1HPRT1
SCHEMBL9367067 0.84 AHCY (0.60) PNPAHCYADORA3STING1HPRT1
SCHEMBL10516308 0.84 AHCY (0.60) PNPAHCYADORA3STING1HPRT1
SCHEMBL10516867 0.84 AHCY (0.60) PNPAHCYADORA3STING1HPRT1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5631259-A PURINE BASE DERIVATIVES FOR NUCLEOSIDES HOECHST AKTIENGESELLSCHAFT (DE) 1997-05-20 — — US disclosed
EP-0521463-A2 Substituted cyclic cycloalkyltriols, process, intermediates for their preparation and their use as antiviral and antiparasitic agents HOECHST AKTIENGESELLSCHAFT (DE) 1993-01-07 — — EP disclosed
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