SCHEMBL263722

SCHEMBL263722

CCOC(=O)/C=C/CC(O)c1cn(C(CC)CC)c2cc(NC3CCCCC3)c(F)cc2c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
GAA P10253 1/20 0.44
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
FOXO1 Q12778 1/20 0.34
ALOX15 P16050 2/20 0.34
LMNA P02545 2/20 0.33
CASP3 P42574 7/20 0.32
BRD4 O60885 1/20 0.32
PDE10A Q9Y233 1/20 0.31
ALDH1A1 P00352 2/20 0.31
TSHR P16473 1/20 0.31
NPC1 O15118 1/20 0.31
S1PR2 O95136 1/20 0.31
XBP1 P17861 1/20 0.31
NR2F2 P24468 1/20 0.31
RAB9A P51151 1/20 0.31
PPP1CA P62136 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL4166705 0.90 MEN1 (0.47) KMT2AMEN1GAACNR1CNR2
SCHEMBL4166712 0.90 MEN1 (0.47) KMT2AMEN1GAACNR1CNR2
SCHEMBL263637 0.78 MEN1 (0.48) KMT2AMEN1GAAFOXO1ALOX15
SCHEMBL4165331 0.78 MEN1 (0.51) KMT2AMEN1GAACNR1CNR2
SCHEMBL263552 0.77 KMT2A (0.45) KMT2AMEN1GAACNR1CNR2
SCHEMBL266815 0.76 MEN1 (0.54) KMT2AMEN1GAACNR1CNR2
SCHEMBL263408 0.76 MEN1 (0.47) KMT2AMEN1GAAFOXO1PDE10A
SCHEMBL4164634 0.75 MEN1 (0.50) KMT2AMEN1GAAFOXO1PDE10A
SCHEMBL265623 0.75 KMT2A (0.53) KMT2AMEN1GAACNR1CNR2
SCHEMBL13332570 0.75 MEN1 (0.40) KMT2AMEN1GAACNR1CNR2

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