SCHEMBL7064563

SCHEMBL7064563

CCCCCCOC(=O)n1cc(F)c(N)nc1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 2/20 0.41
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 3/20 0.39
ATM Q13315 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GAA P10253 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ASAH1 Q13510 2/20 0.38
ESR1 P03372 1/20 0.37
AKR1C4 P17516 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
AKR1C1 Q04828 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL2470522 0.99 LMNA (0.39) EP300MAPTALDH1A1NPC1RAB9A
SCHEMBL1224879 0.85 EP300 (0.46) EP300ALDH1A1LMNAGAAKDM4E
SCHEMBL12883796 0.85 EP300 (0.36) EP300
SCHEMBL12883799 0.83 EP300 (0.39) EP300MAPTALDH1A1RAB9AGAA
SCHEMBL7062249 0.76 ALB (0.35) EP300NPC1
SCHEMBL12883815 0.76 LMNA (0.35) MAPTALDH1A1RAB9ALMNAKDM4E
SCHEMBL1224033 0.76 ASAH1 (0.57) LMNAASAH1CYP3A4CYP2D6MAPK3
SCHEMBL12883801 0.75 ALB (0.34) EP300
SCHEMBL3823927 0.74 SMN1; SMN2 (0.62) LMNAGAAASAH1CYP3A4CYP2D6
SCHEMBL2221563 0.74 ALB (0.39) EP300ALDH1A1LMNAL3MBTL1GAA

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-1311524-A2 5'-DEOXY-N-(SUBSTITUTED OXYCARBONYL)-5-FLUOROCYTOSINE AND DERIVATIVES THEREOF, METHOD OF PREPARING SAME, AND ANTICANCER COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENTS Kolon Industries, Inc. (KR) 2003-05-21 EP disclosed
WO-2002011668-A2 5'-DEOXY-N-(SUBSTITUTED OXYCARBONYL)-5-FLUOROCYTOSINE AND DERIVATIVES THEREOF, METHOD OF PREPARING SAME, AND ANTICANCER COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENTS KOLON INDUSTRIES, INC. (KR) 2002-02-14 WO disclosed