SCHEMBL1241462

SCHEMBL1241462

CCC(NC(=O)c1cn(C(CC)CC)c2cc(NC3CCCCC3)c(F)c(N(C)C)c2c1=O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FOXO1 Q12778 1/20 0.46
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
PDE10A Q9Y233 1/20 0.33
ALOX15 P16050 1/20 0.33
CNR2 P34972 10/20 0.33
CNR1 P21554 9/20 0.33
GSK3B P49841 1/20 0.33
ALDH1A1 P00352 1/20 0.32
PYGL P06737 2/20 0.32
PIN1 Q13526 2/20 0.31

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
SCHEMBL4116045 0.88 FOXO1 (0.46) FOXO1MEN1GAAKMT2APDE10A
SCHEMBL27656225 0.84 FOXO1 (0.42) FOXO1MEN1GAAKMT2APDE10A
SCHEMBL27656227 0.83 FOXO1 (0.44) FOXO1MEN1GAAKMT2APDE10A
SCHEMBL17387389 0.79 FOXO1 (0.59) FOXO1MEN1GAAKMT2APDE10A
SCHEMBL31372321 0.79 FOXO1 (0.59) FOXO1MEN1GAAKMT2APDE10A
SCHEMBL18925604 0.78 FOXO1 (0.51) FOXO1MEN1GAAKMT2APDE10A
SCHEMBL1242497 0.76 MEN1 (0.54) FOXO1MEN1GAAKMT2APDE10A
SCHEMBL27635118 0.76 MEN1 (0.54) FOXO1MEN1GAAKMT2APDE10A
SCHEMBL1243848 0.76 FOXO1 (0.58) FOXO1MEN1GAAKMT2ACNR2
SCHEMBL1243323 0.74 MEN1 (0.75) FOXO1MEN1GAAKMT2AALDH1A1

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
US-7879878-B2 such as {2-[({[7-(cyclohexylamino)-6-fluoro-4-oxo-1-[(3S)-tetrahydrofuran-3-yl]-1,4-dihydroquinolin-3-yl}carbonyl)amino]ethyl}phosphonic acid, used as platelet aggregation inhibitor and purinergic receptor (P2Y12) inhibitors; therapy for circulatory diseases involving thrombosis via platelet aggregation ASTELLAS PHARMA INC. (JP) 2011-02-01 US disclosed
EP-1650192-A1 QUINOLONE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2006-04-26 EP disclosed