SCHEMBL6420868

SCHEMBL6420868

CCCCOC(=O)Nc1nc(=O)n(C2OC(C)C(O)C2O)cc1F

nearest known ligand 0.94

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.94
ADK P55263 2/20 0.48
TSHR P16473 1/20 0.45
MAPT P10636 1/20 0.45
PMP22 Q01453 1/20 0.45
HBB P68871 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
P2RY6 Q15077 2/20 0.38
P2RY14 Q15391 2/20 0.38
NT5E P21589 1/20 0.37
AHCY P23526 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPC1 O15118 1/20 0.35
CASP1 P29466 1/20 0.35
RAB9A P51151 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
SCHEMBL8966859 1.00 LMNA (0.94) LMNAADKTSHRMAPTPMP22
SCHEMBL13394000 1.00 LMNA (0.94) LMNAADKTSHRMAPTPMP22
SCHEMBL8425098 1.00 LMNA (0.94) LMNAADKTSHRMAPTPMP22
Capecitabine SCHEMBL231286 0.97 LMNA (1.00) LMNAADKTSHRMAPTPMP22
Capecitabine SCHEMBL21152105 0.97 LMNA (1.00) LMNAADKTSHRMAPTPMP22
Capecitabine SCHEMBL10013531 0.97 LMNA (1.00) LMNAADKTSHRMAPTPMP22
Capecitabine SCHEMBL236850 0.97 LMNA (1.00) LMNAADKTSHRMAPTPMP22
Capecitabine SCHEMBL4939140 0.97 LMNA (1.00) LMNAADKTSHRMAPTPMP22
Capecitabine SCHEMBL12948190 0.97 LMNA (1.00) LMNAADKTSHRMAPTPMP22
Capecitabine SCHEMBL12302025 0.97 LMNA (1.00) LMNAADKTSHRMAPTPMP22

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
US-20050118600-A1 Method for selecting drug sensitivity-determining factors and method for predicting drug sensitivity using the selected factors F. HOFFMANN-LA ROCHE AG (CH) 2005-06-02 US disclosed