SCHEMBL13477442

SCHEMBL13477442

O=C1N[C@@H](c2ccc(Cl)cc2Cl)[C@H](C(=O)NCCc2ccccc2)c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 4/20 0.58
MGLL Q99685 1/20 0.42
ALDH1A1 P00352 6/20 0.42
HPGD P15428 4/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
PLAAT3 P53816 3/20 0.41
PLAAT5 Q96KN8 3/20 0.41
PLAAT2 Q9NWW9 3/20 0.41
PLAAT4 Q9UL19 3/20 0.41
LMNA P02545 2/20 0.41
ALOX12 P18054 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TAAR1 Q96RJ0 3/20 0.41

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
SCHEMBL19085207 0.94 BRS3 (0.52) BRS3ALDH1A1HPGDMAPTKDM4E
SCHEMBL13477455 0.88 BRS3 (0.48) BRS3MAPTNPC1RAB9ATAAR1
SCHEMBL20621075 0.85 BRS3 (0.46) BRS3ALDH1A1HPGDKDM4EMEN1
SCHEMBL19085348 0.83 MDM2 (0.43) BRS3ALDH1A1HPGDMAPTKDM4E
SCHEMBL20620984 0.83 BRS3 (0.43) BRS3ALDH1A1HPGDMAPTKDM4E
SCHEMBL13477501 0.83 NPC1 (0.48) BRS3ALDH1A1HPGDMAPTKDM4E
SCHEMBL20620544 0.83 BRS3 (0.40) BRS3ALDH1A1HPGDMAPTKDM4E
SCHEMBL13477452 0.81 BRS3 (0.44) BRS3ALDH1A1HPGDKDM4EHTT
SCHEMBL19085177 0.81 BRS3 (0.46) BRS3ALDH1A1HPGDMAPTKDM4E
SCHEMBL20620985 0.81 GALK1 (0.40) BRS3ALDH1A1MAPTMEN1KMT2A

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-2149561-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2010-02-03 EP disclosed