SCHEMBL6632471

SCHEMBL6632471

O=c1ccn([C@@H]2CC[C@H](CO)O2)c(=O)n1F

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.46
RIN1 Q13671 1/20 0.46
LMNA P02545 3/20 0.43
ALB P02768 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 1/20 0.43
CYP1A2 P05177 1/20 0.37
TDP1 Q9NUW8 1/20 0.32
CACNA1F O60840 2/20 0.32
MAPT P10636 2/20 0.32
CACNA1D Q01668 2/20 0.32
CACNA1S Q13698 2/20 0.32
CACNA1C Q13936 2/20 0.32
PDE3A Q14432 2/20 0.32
CYP2A6 P11509 1/20 0.31
PIM1 P11309 1/20 0.30

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
SCHEMBL5013964 1.00 ABL1 (0.46) ABL1RIN1LMNAALBALDH1A1
SCHEMBL23797137 0.83 ABL1 (0.46) ABL1RIN1LMNAALBALDH1A1
SCHEMBL6330943 0.81 ABL1 (0.44) ABL1RIN1LMNAALBALDH1A1
SCHEMBL6744346 0.77 ABL1 (0.41) ABL1RIN1LMNAALBALDH1A1
SCHEMBL6744345 0.77 ABL1 (0.41) ABL1RIN1LMNAALBALDH1A1
SCHEMBL1421772 0.77 LMNA (0.42) ABL1RIN1LMNAALBALDH1A1
SCHEMBL22080061 0.76 ABL1 (0.45) ABL1RIN1LMNAALBALDH1A1
SCHEMBL25813255 0.76 ABL1 (0.45) ABL1RIN1LMNAALBALDH1A1
SCHEMBL14045693 0.76 ABL1 (0.55) ABL1RIN1LMNAALBALDH1A1
SCHEMBL4501110 0.76 ALDH1A1 (0.41) ABL1RIN1LMNAALBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012115578-A1 SYNTHESIS OF FLG MEDIVIR AB (SE) 2012-08-30 WO disclosed
EP-1387850-A2 ANTIVIRAL NUCLEOSIDES Kumar, Rakesh (CA) 2004-02-11 EP disclosed
WO-2002094844-A2 ANTIVIRAL NUCLEOSIDES KUMAR RAKESH (CA) 2002-11-28 WO disclosed
WO-1990003978-A1 5-HALOGENO-3'-FLUORO-2',3'-DIDEOXYURIDINE COMPOUNDS AND THEIR THERAPEUTIC APPLICATION STICHTING REGA VZW (BE) 1990-04-19 WO disclosed
EP-0317128-A2 Anti-HIV Pyrimidine Nucleosides THE WELLCOME FOUNDATION LIMITED (GB) 1989-05-24 EP disclosed