SCHEMBL3968756

SCHEMBL3968756

CC(C)(C)Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COCc2ccccc2)O1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 1/20 0.47
▸ TYMP P19971 1/20 0.47
▸ HIF1A Q16665 1/20 0.46
▸ ADORA3 P0DMS8 3/20 0.44
▸ ADORA1 P30542 1/20 0.44
▸ DNPH1 O43598 1/20 0.44

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
SCHEMBL14616841 0.85 HIF1A (0.53) SLC29A1HIF1AADORA3
SCHEMBL1140505 0.84 POLB (0.60) TYMPHIF1AADORA3ADORA1
SCHEMBL21540903 0.82 HIF1A (0.67) SLC29A1HIF1A
SCHEMBL6908837 0.78 POLB (0.56) TYMPHIF1AADORA1
SCHEMBL22367653 0.78 TYMP (0.65) SLC29A1TYMPHIF1AADORA3
SCHEMBL13268677 0.77 POLB (0.58) HIF1A
SCHEMBL30019129 0.76 SLC29A1 (0.57) SLC29A1HIF1AADORA3ADORA1
SCHEMBL735543 0.76 TYMP (0.64) SLC29A1TYMPHIF1AADORA3ADORA1
SCHEMBL19699209 0.76 DNPH1 (0.74) SLC29A1ADORA3DNPH1
SCHEMBL14208930 0.75 TYMP (0.45) SLC29A1TYMPHIF1AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7510827-B2 Comprises nucleotide sequences probes and primers which hybridize flaviviral 3' untranslated regions for use as diagnostic tools in viral disease detection/infection; point mutations ROCHE MOLECULAR SYSTEMS, INC. (US) 2009-03-31 — — US claimed
EP-1611254-A2 COMPOSITIONS AND METHODS FOR DETECTING CERTAIN FLAVIVIRUSES, INCLUDING MEMBERS OF THE JAPANESE ENCEPHALITIS VIRUS SEROGROUP Roche Diagnostics GmbH (DE) 2006-01-04 — — EP disclosed
WO-2004092412-A2 COMPOSITIONS AND METHODS FOR DETECTING CERTAIN FLAVIVIRUSES, INCLUDING MEMBERS OF THE JAPANESE ENCEPHALITIS VIRUS SEROGROUP ROCHE DIAGNOSTICS GMBH (DE) 2004-10-28 — — WO disclosed
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