SCHEMBL7568268

SCHEMBL7568268

O=C(Nc1ccc(CN2C(=O)COC2=O)cc1)c1cc(=O)c2ccccc2o1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.60
MAOB P27338 2/20 0.60
MAPT P10636 8/20 0.59
KMT2A Q03164 7/20 0.59
MEN1 O00255 5/20 0.59
POLB P06746 3/20 0.59
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
HTT P42858 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
ALDH1A1 P00352 1/20 0.54
DUSP3 P51452 1/20 0.52
PTPN11 Q06124 1/20 0.52
RXFP1 Q9HBX9 1/20 0.51
ABCB1 P08183 1/20 0.49
TP53 P04637 1/20 0.49

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
SCHEMBL7221811 0.85 MAOA (0.63) MAOAMAOBMAPTKMT2AMEN1
SCHEMBL7221496 0.84 MAOA (0.60) MAOAMAOBMAPTKMT2AMEN1
SCHEMBL7565318 0.83 MAOA (0.59) MAOAMAOBMAPTKMT2AMEN1
SCHEMBL7228436 0.82 KMT2A (0.60) MAOAMAOBMAPTKMT2AMEN1
SCHEMBL7220985 0.82 MAOB (0.60) MAOAMAOBMAPTKMT2AMEN1
SCHEMBL7229907 0.79 MAOB (0.63) MAOAMAOBMAPTKMT2AMEN1
SCHEMBL7221186 0.79 NPC1 (0.75) MAOAMAOBMAPTKMT2AMEN1
SCHEMBL7222827 0.78 MAOB (0.61) MAOAMAOBMAPTKMT2AMEN1
SCHEMBL7223900 0.78 MAOB (0.61) MAOAMAOBMAPTKMT2AMEN1
SCHEMBL4970562 0.77 MAOB (0.82) MAOAMAOBMAPTKMT2AMEN1

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
EP-1211251-A1 CHROMONE DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-06-05 EP disclosed