SCHEMBL9048255

SCHEMBL9048255

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@]2(O)C#N)c(=O)n1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.33
▸ HTR1F P30939 2/20 0.32
▸ HTR1D P28221 1/20 0.32
▸ HTR1B P28222 1/20 0.32
▸ ROCK2 O75116 1/20 0.31
▸ DEGS1 O15121 1/20 0.31
▸ P2RY2 P41231 1/20 0.31
▸ TSPO P30536 1/20 0.30

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
SCHEMBL16229227 0.88 — —
SCHEMBL9048607 0.82 P2RY2 (0.38) RAB9AHTR1FHTR1DHTR1BROCK2
SCHEMBL17191733 0.80 — —
SCHEMBL15702101 0.79 POLB (0.30) —
SCHEMBL15782439 0.77 — —
SCHEMBL15704344 0.77 — —
SCHEMBL13621922 0.77 MAPT (0.31) —
SCHEMBL20272324 0.76 POLA1 (0.34) —
SCHEMBL12452560 0.75 ABL1 (0.40) —
SCHEMBL17461987 0.75 ABL1 (0.45) HTR1FHTR1DHTR1B

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
Send feedback