Sugi Predict

Sugi Predict / Compounds / SCHEMBL7246416

SCHEMBL7246416

SCHEMBL7246416

COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@H](OCC[N+]3([O-])C(=O)c4ccccc4C3=O)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 11/20 0.52
▸ P2RY12 Q9H244 1/20 0.42
▸ PRMT6 Q96LA8 1/20 0.42
▸ ADORA1 P30542 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
SCHEMBL6899475 0.90 TYMP (0.56) TYMPP2RY12ADORA1
SCHEMBL6834984 0.89 TYMP (0.56) TYMPP2RY12ADORA1
SCHEMBL1040958 0.89 TYMP (0.56) TYMPP2RY12ADORA1
SCHEMBL30200670 0.89 TYMP (0.56) TYMPP2RY12ADORA1
SCHEMBL6466222 0.88 TYMP (0.54) TYMPP2RY12PRMT6ADORA1
SCHEMBL7068382 0.88 TYMP (0.54) TYMPP2RY12PRMT6ADORA1
SCHEMBL6898807 0.88 TYMP (0.55) TYMPP2RY12ADORA1
SCHEMBL6900160 0.88 TYMP (0.56) TYMPP2RY12ADORA1
SCHEMBL23650062 0.87 TYMP (0.58) TYMPP2RY12ADORA1
SCHEMBL6513309 0.87 TYMP (0.58) TYMPP2RY12ADORA1

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-6639062-B2 Oligonucleotides which elicit ribonuclease for cleavage in complementary nucleic acid strand, having increased binding affinity/nuclease resistance; for medical diagnosis, gene therapy ISIS PHARMACEUTICALS, INC. 2003-10-28 — — US disclosed
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