SCHEMBL6003631

SCHEMBL6003631

CN(C)c1ccc(/C=C/c2ccc(C(C#N)=C(C#N)C#N)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
MAPT P10636 8/20 0.51
APP P05067 6/20 0.51
KMT2A Q03164 6/20 0.51
MEN1 O00255 5/20 0.51
ALDH1A1 P00352 4/20 0.51
RELA Q04206 1/20 0.49
RAB9A P51151 3/20 0.48
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PTGS1 P23219 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
CASP1 P29466 2/20 0.46
HBB P68871 2/20 0.46
NPC1 O15118 2/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B3 P37058 1/20 0.45
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
TLR9 Q9NR96 1/20 0.44

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
SCHEMBL6003635 1.00 KDM4E (0.53) KDM4EMAPTAPPKMT2AMEN1
SCHEMBL8724033 0.90 MEN1 (0.49) KDM4EMAPTAPPKMT2AMEN1
SCHEMBL15494371 0.80 ALDH1A1 (0.52) KDM4EMAPTAPPKMT2AMEN1
SCHEMBL12990758 0.78 APP (0.47) MAPTAPPKMT2AMEN1ALDH1A1
SCHEMBL12972524 0.78 APP (0.47) MAPTAPPKMT2AMEN1ALDH1A1
SCHEMBL7909482 0.77 HSD17B3 (0.56) KDM4EMAPTAPPKMT2AMEN1
SCHEMBL7909486 0.77 HSD17B3 (0.56) KDM4EMAPTAPPKMT2AMEN1
SCHEMBL6003470 0.76 MAPT (0.57) KDM4EMAPTAPPKMT2AMEN1
SCHEMBL6003474 0.76 MAPT (0.57) KDM4EMAPTAPPKMT2AMEN1
SCHEMBL6003482 0.75 MAPT (0.89) KDM4EMAPTAPPKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7092608-B2 Polyimide optical materials, polyimide precursor solutions and optical waveguide elements KABUSHIKI KAISHA TOSHIBA (JP) 2006-08-15 US disclosed
US-7082244-B2 Polyimide optical materials, polyimide precursor solutions and optical waveguide elements KABUSHIKI KAISHA TOSHIBA (JP) 2006-07-25 US disclosed
US-20060159413-A1 POLYIMIDE OPTICAL MATERIALS, POLYIMIDE PRECURSOR SOLUTIONS AND OPTICAL WAVEGUIDE ELEMENTS KABUSHIKI KAISHA TOSHIBA (JP) 2006-07-20 US disclosed
US-20040197064-A1 Polyimide optical materials, polyimide precursor solutions and optical waveguide elements KABUSHIKI KAISHA TOSHIBA (JP) 2004-10-07 US disclosed