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SCHEMBL6905301

SCHEMBL6905301

COc1ccc(C(Nc2ncnc3c2ncn3[C@@H]2C[C@@H](O)[C@H](COC(c3ccccc3)(c3ccccc3)c3ccc(OC)cc3)O2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 4/20 0.58
▸ ADORA1 P30542 1/20 0.43
▸ HIF1A Q16665 1/20 0.42
▸ SLC29A1 Q99808 1/20 0.41
▸ PRKAG1 P54619 1/20 0.41
▸ PRKAA1 Q13131 1/20 0.41
▸ PRKAB1 Q9Y478 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41

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
SCHEMBL2239678 1.00 TYMP (0.58) TYMPADORA1HIF1ASLC29A1PRKAG1
SCHEMBL532674 1.00 TYMP (0.58) TYMPADORA1HIF1ASLC29A1PRKAG1
SCHEMBL4826069 1.00 TYMP (0.58) TYMPADORA1HIF1ASLC29A1PRKAG1
SCHEMBL22367653 0.94 TYMP (0.65) TYMPHIF1ASLC29A1ADORA3
SCHEMBL532504 0.91 HIF1A (0.53) ADORA1HIF1ASLC29A1PRKAG1PRKAA1
SCHEMBL18486296 0.89 TYMP (0.56) TYMPSLC29A1ADORA3
SCHEMBL14208930 0.89 TYMP (0.45) TYMPADORA1HIF1ASLC29A1PRKAG1
SCHEMBL22984001 0.89 TYMP (0.58) TYMP
SCHEMBL3824088 0.89 TYMP (0.58) TYMP
SCHEMBL21044306 0.89 TYMP (0.58) TYMP

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-1292313-B1 METHODS FOR TREATING HEPATITIS DELTA VIRUS INFECTION WITH BETA-L-2' DEOXY-NUCLEOSIDES IDENIX CAYMAN LTD (KY) 2004-09-08 — — EP disclosed