SCHEMBL5694150

SCHEMBL5694150

C=CCOP(=O)(OCCC#N)O[C@H]1[C@@H](F)[C@H](n2ccc(NC(=O)c3ccccc3)nc2=O)O[C@@H]1CO

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ P2RY6 Q15077 12/20 0.46
▸ P2RY14 Q15391 2/20 0.46
▸ NT5E P21589 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ ABL1 P00519 1/20 0.42
▸ RIN1 Q13671 1/20 0.42
▸ P2RY12 Q9H244 1/20 0.38
▸ P2RY4 P51582 10/20 0.37
▸ P2RY2 P41231 9/20 0.37
▸ ST6GAL1 P15907 1/20 0.34

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
SCHEMBL5694048 0.88 P2RY6 (0.43) P2RY6P2RY14NT5EPOLBABL1
SCHEMBL5694259 0.88 P2RY6 (0.45) P2RY6P2RY14NT5EPOLBABL1
SCHEMBL5908145 0.83 ST6GAL1 (0.39) P2RY6P2RY14NT5EP2RY12P2RY2
SCHEMBL20908639 0.82 P2RY12 (0.44) P2RY6P2RY12P2RY2
SCHEMBL20908488 0.82 P2RY12 (0.44) P2RY6P2RY12P2RY2
SCHEMBL23621322 0.82 P2RY12 (0.44) P2RY6P2RY12P2RY2
SCHEMBL30292626 0.82 P2RY12 (0.44) P2RY6P2RY12P2RY2
SCHEMBL20777996 0.82 P2RY12 (0.44) P2RY6P2RY12P2RY2
SCHEMBL23621360 0.82 P2RY12 (0.44) P2RY6P2RY12P2RY2
SCHEMBL26291929 0.82 P2RY12 (0.44) P2RY6P2RY12P2RY2

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-1645561-A1 METHOD OF SYNTHESIZING CYCLIC BISDINUCLEOSIDE Mitsui Chemicals, Inc. (JP) 2006-04-12 — — EP disclosed
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