SCHEMBL263552

SCHEMBL263552

CCOC(=O)/C=C/COc1cn(C(C)C)c2cc(NC3CCCCC3)c(F)cc2c1=O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
FOXO1 Q12778 1/20 0.35
ALOX15 P16050 2/20 0.35
CASP3 P42574 6/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.33
BRD4 O60885 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
ADORA1 P30542 1/20 0.32
PDE4B Q07343 1/20 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
SCHEMBL4171433 0.91 MEN1 (0.47) KMT2AMEN1GAAFOXO1CASP3
SCHEMBL4171436 0.91 MEN1 (0.47) KMT2AMEN1GAAFOXO1CASP3
SCHEMBL263135 0.83 MEN1 (0.47) KMT2AMEN1GAACNR1CNR2
SCHEMBL263554 0.83 MEN1 (0.46) KMT2AMEN1GAAFOXO1CASP3
SCHEMBL4170455 0.82 MEN1 (0.49) KMT2AMEN1GAACNR1FOXO1
SCHEMBL14248546 0.81 MEN1 (0.48) KMT2AMEN1GAAFOXO1RAB9A
SCHEMBL27763824 0.79 KMT2A (0.48) KMT2AMEN1GAAFOXO1CASP3
SCHEMBL263553 0.78 MEN1 (0.47) KMT2AMEN1GAAFOXO1ALOX15
SCHEMBL9277340 0.78 GAA (0.48) KMT2AMEN1GAAFOXO1LMNA
SCHEMBL262802 0.78 MEN1 (0.48) KMT2AMEN1GAAFOXO1ALOX15

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-8133882-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC (JP) 2012-03-13 US disclosed
EP-1995240-B1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC (JP) 2012-02-22 EP disclosed