SCHEMBL9048607

SCHEMBL9048607

CCCCCCCCCCCCCCCC(=O)Nc1ccn([C@@H]2O[C@@H]3CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[C@H]3[C@H]2O)c(=O)n1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ P2RY2 P41231 3/20 0.38
▸ ROCK2 O75116 1/20 0.36
▸ TSPO P30536 1/20 0.36
▸ HTR1F P30939 2/20 0.35
▸ HTR1D P28221 1/20 0.35
▸ HTR1B P28222 1/20 0.35
▸ RAB9A P51151 1/20 0.34
▸ P2RY6 Q15077 4/20 0.33
▸ PLA2G1B P04054 1/20 0.33
▸ ATG4B Q9Y4P1 1/20 0.33
▸ DEGS1 O15121 1/20 0.32
▸ P2RY14 Q15391 2/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ P2RY4 P51582 1/20 0.32
▸ NT5E P21589 1/20 0.32

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
SCHEMBL19981007 0.86 P2RY6 (0.34) P2RY2ROCK2P2RY6P2RY14P2RY4
SCHEMBL14946367 0.86 P2RY6 (0.34) P2RY2ROCK2P2RY6P2RY14P2RY4
SCHEMBL10459464 0.86 P2RY6 (0.34) P2RY2ROCK2P2RY6P2RY14P2RY4
SCHEMBL20459987 0.86 P2RY6 (0.34) P2RY2ROCK2P2RY6P2RY14P2RY4
SCHEMBL20215740 0.86 P2RY6 (0.34) P2RY2ROCK2P2RY6P2RY14P2RY4
SCHEMBL1937265 0.86 P2RY6 (0.34) P2RY2ROCK2P2RY6P2RY14P2RY4
SCHEMBL6365808 0.82 P2RY6 (0.47) P2RY2RAB9AP2RY6P2RY14P2RY4
SCHEMBL13151571 0.82 P2RY6 (0.47) P2RY2RAB9AP2RY6P2RY14P2RY4
SCHEMBL13672352 0.82 P2RY6 (0.47) P2RY2RAB9AP2RY6P2RY14P2RY4
SCHEMBL9048255 0.82 RAB9A (0.33) P2RY2ROCK2TSPOHTR1FHTR1D

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-0536936-B1 Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and use SANKYO CO (JP) 1996-08-14 — — EP disclosed
EP-0536936-A1 Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and use Sankyo Company Limited (JP) 1993-04-14 — — EP disclosed
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