SCHEMBL571569

SCHEMBL571569

O=C1Oc2c3c(ccc2=C1c1ccc(Br)cc1)=C(c1ccc(Br)cc1)C(=O)O3

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPK1 P28482 2/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
HSP90AA1 P07900 1/20 0.44
XBP1 P17861 1/20 0.44
MPI P34949 1/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 3/20 0.40
TSHR P16473 1/20 0.40
PTGS2 P35354 2/20 0.34
PTPRC P08575 1/20 0.34
TNKS O95271 1/20 0.34

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
SCHEMBL15714789 0.91 MAPK1 (0.41) MEN1NPC1RAB9AKMT2AMAPK1
SCHEMBL17517811 0.84 ALDH1A1 (0.39) MEN1NPC1RAB9AKMT2AMAPK1
SCHEMBL22170331 0.81 PTGS2 (0.46) MEN1KMT2AMAPTSMN1; SMN2NPSR1
SCHEMBL571799 0.78 MAPK1 (0.39) MEN1NPC1RAB9AKMT2AMAPK1
SCHEMBL29544302 0.76 PTGS2 (0.46) MEN1NPC1RAB9AKMT2AMAPK1
SCHEMBL17430598 0.72 ALDH1A1 (0.44) MEN1NPC1RAB9AKMT2AMAPK1
SCHEMBL17517796 0.72 HPGD (0.40) MEN1NPC1RAB9AKMT2AMAPK1
SCHEMBL9270824 0.69 PDE4B (0.41) MEN1NPC1RAB9AKMT2AMAPK1
SCHEMBL17432754 0.68 ME2 (0.45) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL22170333 0.66 PTGS2 (0.45) KMT2AMAPTKDM4ELMNAHSP90AA1

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
WO-2012017005-A2 POLYMERS BASED ON BENZODIONES BASF SE (DE) 2012-02-09 WO disclosed
WO-2012017005-A2 POLYMERS BASED ON BENZODIONES BASF SE (DE) 2012-02-09 WO disclosed