SCHEMBL4337306

SCHEMBL4337306

Oc1ccccc1-c1nc2cccc(Br)c2s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.44
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
MAPT P10636 5/20 0.44
KDM4E B2RXH2 4/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ILK Q13418 1/20 0.44
HTR2B P41595 3/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
L3MBTL1 Q9Y468 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
GAA P10253 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
POLB P06746 2/20 0.41
THRB P10828 1/20 0.41
ALOX15 P16050 1/20 0.41
CASP1 P29466 1/20 0.41
SNCA P37840 1/20 0.41
CASP7 P55210 1/20 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
SCHEMBL5755756 0.78 ALDH1A1 (0.43) APPNPC1RAB9AMAPTKDM4E
SCHEMBL30903623 0.77 APP (0.45) APPNPC1RAB9AMAPTKDM4E
SCHEMBL27925517 0.77 APP (0.45) APPNPC1RAB9AMAPTKDM4E
SCHEMBL4337635 0.77 APP (0.41) APPNPC1RAB9AMAPTKDM4E
SCHEMBL26660261 0.76 HTR2B (0.39) APPNPC1RAB9AMAPTKDM4E
SCHEMBL28197878 0.75 HTR2B (0.42) APPNPC1RAB9AMAPTKDM4E
SCHEMBL20477485 0.75 MAPT (0.44) APPNPC1RAB9AMAPTKDM4E
SCHEMBL30132720 0.75 KDM4E (0.73) APPNPC1RAB9AMAPTKDM4E
SCHEMBL196475 0.75 KDM4E (0.73) APPNPC1RAB9AMAPTKDM4E
SCHEMBL1549967 0.73 KDM4E (0.76) APPNPC1RAB9AMAPTKDM4E

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
EP-2092040-A1 ORGANOMETALIC COMPOUNDS FOR ELECTROLUMINESCENCE AND ORGANIC ELECTROLUMIESCENT DEVICE USING THE SAME Gracel Display Inc. (KR) 2009-08-26 EP disclosed
WO-2008082249-A1 ORGANOMETALIC COMPOUNDS FOR ELECTROLUMINESCENCE AND ORGANIC ELECTROLUMIESCENT DEVICE USING THE SAME GRACEL DISPLAY INC. (KR) 2008-07-10 WO disclosed