SCHEMBL1243462

SCHEMBL1243462

CCC(NC(=O)c1cn(CC(O)CO)c2cc(NC3CCCCC3)c(F)cc2c1=O)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
GAA P10253 4/20 0.60
FOXO1 Q12778 1/20 0.42
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
CNR1 P21554 3/20 0.38
CNR2 P34972 3/20 0.38
RAD52 P43351 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36

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
SCHEMBL1243323 0.90 MEN1 (0.75) MEN1KMT2AGAAFOXO1KDM4E
SCHEMBL1243135 0.87 MEN1 (0.65) MEN1KMT2AGAAFOXO1KDM4E
SCHEMBL4109532 0.86 MEN1 (0.61) MEN1KMT2AGAAFOXO1KDM4E
SCHEMBL1243614 0.85 MEN1 (0.60) MEN1KMT2AGAAFOXO1KDM4E
SCHEMBL1242841 0.84 MEN1 (0.58) MEN1KMT2AGAAFOXO1KDM4E
SCHEMBL27735088 0.83 GAA (0.62) MEN1KMT2AGAAFOXO1KDM4E
SCHEMBL27735087 0.82 KMT2A (0.59) MEN1KMT2AGAAFOXO1KDM4E
SCHEMBL1242762 0.81 MEN1 (0.55) MEN1KMT2AGAAFOXO1KDM4E
SCHEMBL1243435 0.79 MEN1 (0.52) MEN1KMT2AGAAFOXO1KDM4E
SCHEMBL1242761 0.79 MEN1 (0.52) MEN1KMT2AGAAFOXO1KDM4E

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-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