SCHEMBL6334698

SCHEMBL6334698

CN1C(=O)C(c2ccc(Br)cc2)=C(c2ccc(Br)cc2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.47
APP P05067 1/20 0.46
NR1H2 P55055 2/20 0.44
NR1H3 Q13133 2/20 0.44
MAPK1 P28482 2/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
HSP90AA1 P07900 1/20 0.41
XBP1 P17861 1/20 0.41
MPI P34949 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 3/20 0.39

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
SCHEMBL12391791 0.82 APP (0.40) PTGS2APPNR1H2NR1H3MAPK1
SCHEMBL794276 0.78 PTGS2 (0.69) PTGS2NR1H2NR1H3MAPTHTT
SCHEMBL19287962 0.77 MAPT (0.40) PTGS2APPNR1H2NR1H3MAPK1
SCHEMBL4912423 0.72 CA2 (0.44) PTGS2MAPK1MEN1MAPTKMT2A
SCHEMBL18138113 0.69 APP (0.35) PTGS2APPMEN1MAPTKMT2A
SCHEMBL12779160 0.69 RXFP1 (0.38) APPMAPK1MEN1MAPTKMT2A
SCHEMBL18699211 0.69 PIM1 (0.61) MEN1KMT2AALDH1A1CASP3ERBB2
SCHEMBL13058807 0.69 PIM1 (0.47) APPMEN1MAPTKMT2ASMN1; SMN2
SCHEMBL6338000 0.68 PTGS2 (0.47) PTGS2MAPK1MEN1MAPTKMT2A
SCHEMBL1783796 0.68 APP (0.66) APPMAPK1MEN1MAPTKMT2A

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-6884525-B2 Red light emitting materials ACADEMIA SINICA (TW) 2005-04-26 US disclosed
US-20040013902-A1 Red light emitting materials TRANSPACIFIC IP LTD. (TW) 2004-01-22 US disclosed