SCHEMBL4725276

SCHEMBL4725276

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

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TK1 P04183 6/20 0.38
TK2 O00142 2/20 0.35
LMNA P02545 2/20 0.35
TSHR P16473 2/20 0.35
ALB P02768 1/20 0.35
PKM P14618 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL4728681 0.99 TK1 (0.39) TK1LMNATSHRALBPKM
SCHEMBL4727501 0.92 TK1 (0.41) TK1LMNATSHRALBPKM
SCHEMBL29587983 0.91 TK2 (0.44) TK1TK2
SCHEMBL5163085 0.90 TK2 (0.43) TK1TK2
SCHEMBL1517629 0.86 TK1 (0.44) TK1LMNATSHRALBPKM
SCHEMBL9113442 0.86 TK1 (0.38) TK1TK2
SCHEMBL27436150 0.85 TK1 (0.43) TK1LMNATSHRALBPKM
SCHEMBL14388593 0.85 TK1 (0.43) TK1LMNATSHRALBPKM
SCHEMBL887851 0.84 TK1 (0.43) TK1LMNATSHRALBPKM
SCHEMBL29597386 0.84 TK1 (0.39) 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
WO-2008024826-A2 RADIOHALOTHYMIDINES AND METHODS OF THEIR SYNTHESIS AND USE IN PET IMAGING OF CANCERS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2008-02-28 WO disclosed