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Sugi Predict / Compounds / SCHEMBL30091055

SCHEMBL30091055

SCHEMBL30091055

COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@@H](OC)[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 8/20 0.58
▸ P2RY12 Q9H244 2/20 0.49
▸ ADORA1 P30542 3/20 0.48
▸ ADORA2A P29274 1/20 0.47
▸ ADORA2B P29275 1/20 0.47
▸ P2RY2 P41231 1/20 0.47
▸ P2RY1 P47900 1/20 0.47
▸ P2RY6 Q15077 1/20 0.47

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
SCHEMBL6513309 1.00 TYMP (0.58) TYMPP2RY12ADORA1ADORA2AADORA2B
SCHEMBL30396368 1.00 TYMP (0.58) TYMPP2RY12ADORA1ADORA2AADORA2B
SCHEMBL7708120 1.00 TYMP (0.58) TYMPP2RY12ADORA1ADORA2AADORA2B
SCHEMBL23650062 1.00 TYMP (0.58) TYMPP2RY12ADORA1ADORA2AADORA2B
SCHEMBL30689461 0.94 TYMP (0.58) TYMPP2RY12ADORA1ADORA2AADORA2B
SCHEMBL1040958 0.94 TYMP (0.56) TYMPP2RY12ADORA1ADORA2AADORA2B
SCHEMBL30200670 0.94 TYMP (0.56) TYMPP2RY12ADORA1ADORA2AADORA2B
SCHEMBL6834984 0.94 TYMP (0.56) TYMPP2RY12ADORA1ADORA2AADORA2B
SCHEMBL6900160 0.94 TYMP (0.56) TYMPP2RY12ADORA1ADORA2AADORA2B
SCHEMBL19493363 0.93 TYMP (0.67) TYMPP2RY12ADORA1P2RY2P2RY1

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-4090665-A1 4'-O-METHYLENE PHOSPHONATE NUCLEIC ACIDS AND ANALOGUES THEREOF Dicerna Pharmaceuticals, Inc. (US) 2022-11-23 — — EP disclosed