SCHEMBL7519485

SCHEMBL7519485

CCCCNc1nc(S(=O)(=O)CCC)nc2c1nnn2[C@@H]1C[C@H](C(=O)O)[C@@H](O)[C@H]1O

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 16/20 0.70
▸ NAE1 Q13564 3/20 0.39
▸ UBA3 Q8TBC4 3/20 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
SCHEMBL7519494 1.00 P2RY12 (0.70) P2RY12NAE1UBA3
SCHEMBL7519132 0.85 P2RY12 (0.51) P2RY12NAE1UBA3
SCHEMBL6995281 0.82 P2RY12 (1.00) P2RY12
SCHEMBL6995290 0.82 P2RY12 (1.00) P2RY12
SCHEMBL7512903 0.79 P2RY12 (0.78) P2RY12NAE1UBA3
SCHEMBL7512896 0.79 P2RY12 (0.78) P2RY12NAE1UBA3
SCHEMBL7506130 0.79 P2RY12 (0.53) P2RY12
SCHEMBL7506139 0.79 P2RY12 (0.53) P2RY12
SCHEMBL7516058 0.79 P2RY12 (0.77) P2RY12NAE1UBA3
SCHEMBL7516050 0.79 P2RY12 (0.77) P2RY12NAE1UBA3

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-0946561-B1 TRIAZOLO(4,5-D)PYRIMIDINYL DERIVATIVES AND THEIR USE AS MEDICAMENTS ASTRAZENECA AB (SE) 2002-02-13 — — EP disclosed
US-6297232-B1 TREATMENT OF PLATELET AGGREGATION DISORDERS. ASTRAZENECA AB (SE) 2001-10-02 — — US disclosed
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