SCHEMBL5694043

SCHEMBL5694043

C=CCOC(=O)Nc1ncnc2c1ncn2[C@H]1C[C@H](OP(=O)(OCC=C)OCCC#N)[C@@H](CO)O1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 1/20 0.38
▸ P2RY1 P47900 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL17860588 0.90 ADORA1 (0.40) SLC29A1P2RY1
SCHEMBL5908144 0.83 P2RY1 (0.38) P2RY1
SCHEMBL17860563 0.82 TYMP (0.40) P2RY1
SCHEMBL5694102 0.82 LMNA (0.36) LMNA
SCHEMBL21539912 0.81 ALDH1A1 (0.45) P2RY1LMNA
SCHEMBL5694106 0.81 POLB (0.45) P2RY1
SCHEMBL9405447 0.80 HIF1A (0.55) SLC29A1
SCHEMBL20341130 0.78 ADORA1 (0.40) P2RY1
SCHEMBL5694262 0.78 P2RY12 (0.37) P2RY1
SCHEMBL5908141 0.78 P2RY12 (0.45) P2RY1

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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