SCHEMBL16417893

SCHEMBL16417893

COc1ccc(OC[C@H]2O[C@@H](n3cnc4c(NC(=O)c5ccc(CNC(=O)Cc6ccccc6)cc5)ncnc43)CC2O)cc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 2/20 0.45
▸ ADORA2B P29275 2/20 0.45
▸ ADORA1 P30542 2/20 0.45
▸ SLC29A1 Q99808 1/20 0.45
▸ NPC1 O15118 1/20 0.43
▸ DNPH1 O43598 1/20 0.42
▸ P2RY12 Q9H244 1/20 0.42

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
SCHEMBL13375792 0.92 TYMP (0.49) ADORA3ADORA2BADORA1SLC29A1NPC1
SCHEMBL13930538 0.92 TYMP (0.49) ADORA3ADORA2BADORA1SLC29A1NPC1
SCHEMBL16417887 0.89 ADORA3 (0.45) ADORA3ADORA2BADORA1SLC29A1
SCHEMBL12724728 0.86 TYMP (0.50) ADORA3ADORA2BADORA1SLC29A1
SCHEMBL13897143 0.86 TYMP (0.50) ADORA3ADORA2BADORA1SLC29A1
SCHEMBL16417877 0.86 ADORA1 (0.42) ADORA3ADORA2BADORA1SLC29A1
SCHEMBL13897153 0.85 TYMP (0.52) ADORA3ADORA2BADORA1SLC29A1P2RY12
SCHEMBL12824479 0.85 TYMP (0.52) ADORA3ADORA2BADORA1SLC29A1P2RY12
SCHEMBL16257647 0.85 SLC29A1 (0.43) ADORA3ADORA2BADORA1SLC29A1
SCHEMBL13930533 0.84 TYMP (0.47) ADORA3ADORA2BADORA1SLC29A1

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
US-8940879-B2 Functional molecule, functional molecule synthesizing amidite and target substance analysis method APTA BIOSCIENCES LTD. (GB) 2015-01-27 — — US disclosed
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