SCHEMBL7220985

SCHEMBL7220985

O=C(Nc1ccc(CN2CCOC2=O)cc1)c1cc(=O)c2ccccc2o1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.60
MAOA P21397 2/20 0.60
KMT2A Q03164 8/20 0.60
MAPT P10636 8/20 0.59
MEN1 O00255 6/20 0.59
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
POLB P06746 2/20 0.59
HTT P42858 2/20 0.59
ALDH1A1 P00352 3/20 0.54
MAPK1 P28482 2/20 0.53
TP53 P04637 1/20 0.53
DUSP3 P51452 1/20 0.52
PTPN11 Q06124 1/20 0.52
ABCB1 P08183 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
ATM Q13315 1/20 0.51

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
SCHEMBL7221186 0.83 NPC1 (0.75) MAOBMAOAKMT2AMAPTMEN1
SCHEMBL7568268 0.82 MAOA (0.60) MAOBMAOAKMT2AMAPTMEN1
SCHEMBL7229907 0.81 MAOB (0.63) MAOBMAOAKMT2AMAPTMEN1
SCHEMBL7222827 0.80 MAOB (0.61) MAOBMAOAKMT2AMAPTMEN1
SCHEMBL7223900 0.80 MAOB (0.61) MAOBMAOAKMT2AMAPTMEN1
SCHEMBL7221811 0.79 MAOA (0.63) MAOBMAOAKMT2AMAPTMEN1
SCHEMBL7229383 0.79 MAOB (0.59) MAOBMAOAKMT2AMAPTMEN1
SCHEMBL7221496 0.78 MAOA (0.60) MAOBMAOAKMT2AMAPTMEN1
SCHEMBL4970562 0.77 MAOB (0.82) MAOBMAOAKMT2AMAPTMEN1
SCHEMBL7565318 0.77 MAOA (0.59) MAOBMAOAKMT2AMAPTMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6552054-B1 For prophylaxis and therapy of bone diseases and chondropathy TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-04-22 US claimed
EP-1211251-A1 CHROMONE DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-06-05 EP claimed
US-6552054-B1 For prophylaxis and therapy of bone diseases and chondropathy TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-04-22 US disclosed
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