SCHEMBL6299993

SCHEMBL6299993

C#Cc1cn([C@H]2C[C@H](O)[C@@H](COC(c3ccccc3)(c3ccccc3)c3ccc(OC)cc3)O2)c(=O)[nH]c1=O

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TYMS P04818 5/20 0.54
TYMP P19971 2/20 0.51

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
SCHEMBL6299997 1.00 TYMS (0.54) TYMSTYMP
SCHEMBL4167484 0.93 TYMP (0.56) TYMSTYMP
SCHEMBL26647607 0.92 TYMS (0.53) TYMSTYMP
SCHEMBL26647537 0.92 TYMS (0.53) TYMSTYMP
SCHEMBL6300355 0.91 TYMS (0.51) TYMSTYMP
SCHEMBL6300351 0.91 TYMS (0.51) TYMSTYMP
SCHEMBL17766320 0.90 TYMS (0.48) TYMSTYMP
SCHEMBL13255798 0.90 TYMS (0.51) TYMSTYMP
SCHEMBL13255833 0.90 TYMS (0.51) TYMSTYMP
SCHEMBL15226427 0.90 TYMS (0.51) TYMSTYMP

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6884882-B1 2′-deoxyuridine derivatives and hydrogels formed therewith POSTECH FOUNDATION (KR) 2005-04-26 US disclosed
US-5843917-A 5-Fluorouracil derivatives GLAXO WELLCOME INC. (US) 1998-12-01 US disclosed
EP-0726904-A1 5-FLUOROURACIL DERIVATIVES THE WELLCOME FOUNDATION LIMITED (GB) 1996-08-21 EP disclosed
WO-1995012606-A1 5-FLUOROURACIL DERIVATIVES THE WELLCOME FOUNDATION LIMITED (GB) 1995-05-11 WO disclosed