SCHEMBL9025958

SCHEMBL9025958

Cc1cn(C2C(F)C(CO)C2CO)c(=O)[nH]c1=O

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
ALB P02768 2/20 0.52
BLM P54132 2/20 0.52
ALDH1A1 P00352 1/20 0.52
POLB P06746 1/20 0.52
ADRA1A P35348 1/20 0.52
TK1 P04183 3/20 0.44
TYMP P19971 2/20 0.43
PKM P14618 1/20 0.42
PMP22 Q01453 1/20 0.42

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
SCHEMBL9024558 1.00 LMNA (0.52) LMNAALBBLMALDH1A1POLB
SCHEMBL9309840 0.90 LMNA (0.58) LMNAALBBLMALDH1A1POLB
SCHEMBL10757124 0.88 ALDH1A1 (0.49) LMNAALBBLMALDH1A1POLB
SCHEMBL9025564 0.83 TK1 (0.50) LMNAALBBLMALDH1A1POLB
SCHEMBL9025572 0.83 TK1 (0.50) LMNAALBBLMALDH1A1POLB
SCHEMBL10746824 0.80 ALDH1A1 (0.52) LMNAALBBLMALDH1A1POLB
SCHEMBL9025283 0.79 TK2 (0.45) LMNAALBBLMALDH1A1POLB
SCHEMBL9025397 0.79 TK2 (0.56) BLMTK1PMP22
SCHEMBL9025814 0.77 TK2 (0.41) LMNAALBBLMALDH1A1POLB
SCHEMBL9864109 0.76 TK2 (0.38) LMNAALBBLMALDH1A1POLB

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-0458363-B1 Fluorinated bis(hydroxymethyl) cyclobutyl purines and pyrimidines SQUIBB & SONS INC (US) 1996-02-07 EP disclosed
WO-1991018969-A1 FLUORINATED BIS(HYDROXYMETHYL)CYCLOBUTYL PURINES AND PYRIMIDINES E.R. SQUIBB & SONS, INC. (US) 1991-12-12 WO disclosed