SCHEMBL285574

SCHEMBL285574

C[C@H]1O[C@@H](n2cc(F)c(NC(=O)OCCCc3ccccc3)nc2=O)[C@H](O)[C@@H]1O

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.76
ADK P55263 1/20 0.48
P2RY6 Q15077 2/20 0.45
P2RY14 Q15391 2/20 0.45
NT5E P21589 1/20 0.45
NAAA Q02083 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
RECQL P46063 1/20 0.42
RAB9A P51151 1/20 0.42
TSHR P16473 1/20 0.41
MAPT P10636 1/20 0.41
PMP22 Q01453 1/20 0.41
HBB P68871 1/20 0.41
P2RY4 P51582 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
SCHEMBL9410767 1.00 LMNA (0.76) LMNAADKP2RY6P2RY14NT5E
SCHEMBL284886 0.95 LMNA (0.73) LMNAADKP2RY6P2RY14NT5E
SCHEMBL8193617 0.95 LMNA (0.73) LMNAADKP2RY6P2RY14NT5E
SCHEMBL9222549 0.89 LMNA (0.70) LMNAADKP2RY6P2RY14NT5E
SCHEMBL9218284 0.89 LMNA (0.70) LMNAADKP2RY6P2RY14NT5E
SCHEMBL8425098 0.87 LMNA (0.94) LMNAADKP2RY6P2RY14NT5E
SCHEMBL6420868 0.87 LMNA (0.94) LMNAADKP2RY6P2RY14NT5E
SCHEMBL8966859 0.87 LMNA (0.94) LMNAADKP2RY6P2RY14NT5E
SCHEMBL13394000 0.87 LMNA (0.94) LMNAADKP2RY6P2RY14NT5E
Capecitabine SCHEMBL12948190 0.87 LMNA (1.00) LMNAADKP2RY6P2RY14NT5E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2428213-A1 STABILIZED CHLORITE SOLUTIONS IN COMBINATION WITH FLUOROPYRIMIDINES FOR USE IN CANCER TREATMENT Nuvo Research AG (CH) 2012-03-14 EP claimed
EP-0602454-A1 N-Oxycarbonyl substituted 5'-deoxy-5-fluorocytidines F. HOFFMANN-LA ROCHE AG (CH) 1994-06-22 EP claimed
EP-2428213-A1 STABILIZED CHLORITE SOLUTIONS IN COMBINATION WITH FLUOROPYRIMIDINES FOR USE IN CANCER TREATMENT Nuvo Research AG (CH) 2012-03-14 EP disclosed
EP-0602454-A1 N-Oxycarbonyl substituted 5'-deoxy-5-fluorocytidines F. HOFFMANN-LA ROCHE AG (CH) 1994-06-22 EP disclosed