SCHEMBL7619002

SCHEMBL7619002

COc1ccc(C(OC[C@@H]2C[C@@H](O)[C@H](n3cnc4c(NC(=O)OCCc5ccc([N+](=O)[O-])cc5)ncnc43)O2)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 6/20 0.52
TYMP P19971 2/20 0.43
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
NT5E P21589 1/20 0.39

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
SCHEMBL7615989 1.00 SLC29A1 (0.52) SLC29A1TYMPADORA2AADORA2BADORA3
SCHEMBL8914132 0.91 SLC29A1 (0.43) SLC29A1TYMPADORA2AADORA2B
SCHEMBL8912999 0.88 SLC29A1 (0.40) SLC29A1TYMPADORA2AADORA2B
SCHEMBL7756536 0.85 TYMP (0.46) SLC29A1TYMP
SCHEMBL7710522 0.85 SLC29A1 (0.40) SLC29A1TYMPADORA2AADORA2BADORA3
SCHEMBL13057654 0.84 TYMP (0.51) TYMPADORA2AADORA2BADORA3
SCHEMBL18496453 0.84 TYMP (0.51) TYMPADORA2AADORA2BADORA3
SCHEMBL1069795 0.82 ADORA2B (0.49) TYMPADORA2AADORA2BADORA3
SCHEMBL3796393 0.82 ADORA2B (0.49) TYMPADORA2AADORA2BADORA3
SCHEMBL1068391 0.77 TYMP (0.55) TYMPNT5E

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
EP-0630249-B1 DUAL ACTION 2',5'-OLIGOADENYLATE ANTIVIRAL DERIVATIVES AND USES THEREOF UNIV TEMPLE (US) 2002-09-18 EP disclosed
WO-1993017692-A1 DUAL ACTION 2',5'-OLIGOADENYLATE ANTIVIRAL DERIVATIVES AND USES THEREOF TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 1993-09-16 WO disclosed