SCHEMBL13724687

SCHEMBL13724687

CCC(=O)On1cc(C)c(=O)[nH]c1=O

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.43
▸ TK1 P04183 4/20 0.42
▸ HPGD P15428 1/20 0.42
▸ TYMP P19971 2/20 0.41
▸ LMNA P02545 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL27538958 0.83 LMNA (0.52) LMNAKMT2A
SCHEMBL22440027 0.82 MAPK1 (0.39) MAPK1TK1HPGDTYMP
SCHEMBL2635616 0.81 MAPK1 (0.42) MAPK1TK1HPGDTYMP
SCHEMBL16914966 0.81 MAPK1 (0.38) MAPK1TK1HPGDTYMP
SCHEMBL8910349 0.80 MAPK1 (0.41) MAPK1TK1HPGDTYMP
SCHEMBL28402505 0.76 TK1 (0.39) MAPK1TK1HPGDTYMP
SCHEMBL8412383 0.75 TYMP (0.43) MAPK1TK1HPGDTYMP
SCHEMBL24052575 0.74 TK1 (0.55) MAPK1TK1HPGD
SCHEMBL16915037 0.73 TYMP (0.41) MAPK1TK1TYMPKMT2A
SCHEMBL28236112 0.72 CRBN (0.43) LMNA

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-2012149604-A1 BIS-THYMINE DERIVATIVES AND PHOTO-REVERSIBLE POLYMERS THEREOF MONASH UNIVERSITY (AU) 2012-11-08 — — WO disclosed
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