SCHEMBL5772644

SCHEMBL5772644

O=C(CC(=O)c1ccc(N(c2ccccc2)c2ccccc2)s1)c1ccc(N(c2ccccc2)c2ccccc2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 3/20 0.44
FEN1 P39748 3/20 0.44
RNASEH1 O60930 1/20 0.40
KMT2A Q03164 5/20 0.39
TDP1 Q9NUW8 3/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
CES1 P23141 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 2/20 0.38
GLA P06280 1/20 0.38
TSHR P16473 1/20 0.38
GSK3B P49841 1/20 0.37
NPSR1 Q6W5P4 2/20 0.35
POLB P06746 4/20 0.35

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
SCHEMBL8994673 0.74 ALDH1A1 (0.44) KMT2ATDP1MEN1MAPTKDM4E
SCHEMBL21784397 0.74 GSK3B (0.47) KMT2ATDP1MEN1MAPTKDM4E
SCHEMBL7818129 0.69 ERCC5 (0.55) ERCC5FEN1RNASEH1NPC1RAB9A
SCHEMBL8994693 0.69 APP (0.43) KMT2ATDP1MEN1MAPTKDM4E
SCHEMBL8994988 0.67 APP (0.46) KMT2ATDP1MEN1MAPTKDM4E
SCHEMBL13707363 0.67 APP (0.46) KMT2ATDP1MEN1MAPTKDM4E
SCHEMBL7818173 0.67 FEN1 (0.52) ERCC5FEN1RNASEH1TDP1SMN1; SMN2
Propionic Acid SCHEMBL21145220 0.66 ALDH1A1 (0.56) KMT2ATDP1MEN1MAPTKDM4E
SCHEMBL16282227 0.66 ALDH1A1 (0.37) KMT2ATDP1MEN1MAPTKDM4E
SCHEMBL8994681 0.66 ALDH1A1 (0.41) KMT2ATDP1MEN1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1358190-B1 AMORPHOUS ORGANIC 1,3,2-DIOXABORINE LUMINOPHORES, METHOD FOR THE PRODUCTION AND USE THEREOF OSRAM OPTO SEMICONDUCTORS GMBH (DE) 2006-04-26 EP disclosed
US-7026490-B2 Amorphous organic 1,3,2-dioxaborine luminophores, method for the production and use thereof OSRAM OPTO SEMICONDUCTORS GMBH (DE) 2006-04-11 US disclosed
US-20040065867-A1 Amorphous organic 1,3,2-dioxaborine luminphores method for the production and use thereof OSRAM OLED GMBH (DE) 2004-04-08 US disclosed
EP-1358190-A1 AMORPHOUS ORGANIC 1,3,2-DIOXABORINE LUMINOPHORES, METHOD FOR THE PRODUCTION AND USE THEREOF Siemens Aktiengesellschaft (DE) 2003-11-05 EP disclosed
WO-2002064600-A1 AMORPHOUS ORGANIC 1,3,2-DIOXABORINE LUMINOPHORES, METHOD FOR THE PRODUCTION AND USE THEREOF SIEMENS AKTIENGESELLSCHAFT (DE) 2002-08-22 WO disclosed