SCHEMBL3904321

SCHEMBL3904321

CC(N)c1cn(C)c2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.62
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
HTT P42858 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
IMPDH2 P12268 2/20 0.50
KDM4E B2RXH2 1/20 0.50
GPR84 Q9NQS5 1/20 0.48
ALDH1A1 P00352 3/20 0.48
GAA P10253 1/20 0.48
NPC1 O15118 1/20 0.48
POLB P06746 1/20 0.48
HTR2A P28223 1/20 0.47
SRC P12931 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
NQO2 P16083 1/20 0.43

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
SCHEMBL820361 0.84 IDO1 (0.61) IDO1MEN1KMT2ALMNAMAPT
SCHEMBL5151615 0.82 IDO1 (0.64) IDO1MEN1KMT2ALMNAMAPT
SCHEMBL8591131 0.82 MEN1 (0.67) IDO1MEN1KMT2ALMNAMAPT
SCHEMBL31268114 0.82 MEN1 (0.67) IDO1MEN1KMT2ALMNAMAPT
SCHEMBL19054773 0.81 IDO1 (0.57) IDO1MEN1KMT2ALMNAMAPT
SCHEMBL19866686 0.81 IDO1 (0.57) IDO1MEN1KMT2ALMNAMAPT
SCHEMBL8416938 0.80 IDO1 (0.61) IDO1MEN1KMT2ALMNAMAPT
SCHEMBL12534047 0.79 IDO1 (0.60) IDO1MEN1KMT2ALMNAMAPT
SCHEMBL28346754 0.79 IDO1 (0.60) IDO1MEN1KMT2ALMNAMAPT
SCHEMBL16154384 0.78 MEN1 (0.60) IDO1MEN1KMT2ALMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160103126-A1 USE OF METAL COMPLEXES ANTEO TECHNOLOGIES PTY LTD (AU) 2016-04-14 US disclosed
US-9234891-B2 Use of metal complexes ANTEO TECHNOLOGIES PTY LTD (AU) 2016-01-12 US disclosed
EP-1773866-B1 USE OF METAL COMPLEXES BIO LAYER PTY LTD (AU) 2013-06-19 EP disclosed
US-20120214973-A1 USE OF METAL COMPLEXES BIO-LAYER PTY LIMITED (AU) 2012-08-23 US disclosed
EP-1773866-A4 USE OF METAL COMPLEXES BIO LAYER PTY LTD (AU) 2009-04-01 EP disclosed
EP-1773866-A1 USE OF METAL COMPLEXES Bio-Layer Pty Limited (AU) 2007-04-18 EP disclosed
WO-2006002472-A1 USE OF METAL COMPLEXES BIO-LAYER PTY LTD (AU) 2006-01-12 WO disclosed