SCHEMBL28293851

SCHEMBL28293851

Cc1cn([C@@]2(C(=O)OF)C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TK1 P04183 5/20 0.39
RNASE1 P07998 1/20 0.38
ALDH1A1 P00352 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TYMP P19971 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
SCHEMBL17224727 0.89 TK1 (0.39) TK1RNASE1ALDH1A1NPSR1TYMP
SCHEMBL3694341 0.88 TK1 (0.43) TK1RNASE1TYMP
SCHEMBL6536213 0.87 TK1 (0.42) TK1ALDH1A1NPSR1TYMP
SCHEMBL27651863 0.86 TK1 (0.41) TK1TYMP
SCHEMBL28239487 0.86 TK1 (0.41) TK1ALDH1A1TYMP
SCHEMBL8744125 0.82 TK1 (0.38) TK1TYMP
SCHEMBL5148089 0.82 RNASE1 (0.46) TK1RNASE1TYMP
SCHEMBL29927067 0.81 RNASE1 (0.39) TK1RNASE1
SCHEMBL5709920 0.81 TK1 (0.40) TK1RNASE1TYMP
SCHEMBL8744135 0.81 TK1 (0.38) TK1

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
CN-109761914-A A method of preparing 5- trifluoromethyl uracil 北京瑞博奥生物科技有限公司 2019-05-17 CN disclosed