SCHEMBL16601980

SCHEMBL16601980

COCc1ccc(-c2ccc3c(c2)-c2cc(C)ccc2C(=C(C#N)C#N)C3=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALKBH3 Q96Q83 4/20 0.36
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
USP8 P40818 1/20 0.34
USP7 Q93009 1/20 0.34
CHEK1 O14757 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
ERN1 O75460 1/20 0.33
XDH P47989 2/20 0.33
ELANE P08246 1/20 0.33
NAAA Q02083 1/20 0.32
LCK P06239 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
MEN1 O00255 1/20 0.31
APAF1 O14727 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.31
XBP1 P17861 1/20 0.31

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
SCHEMBL16601968 0.87 MAPT (0.36) MAPTKDM4ECHEK1ERN1XDH
SCHEMBL16656336 0.87 MAOA (0.41) ALKBH3MAPTKDM4EUSP8USP7
SCHEMBL12113759 0.81 MAOA (0.48) ALKBH3MAPTKDM4EUSP8USP7
SCHEMBL16602029 0.80 PTGS1 (0.38) ALKBH3MAPTKDM4EUSP8USP7
SCHEMBL16656339 0.79 MAPT (0.42) ALKBH3MAPTKDM4EUSP8USP7
SCHEMBL15765913 0.79 MAPT (0.38) MAPTKDM4ECHEK1ERN1SMN1; SMN2
SCHEMBL16602022 0.77 EGFR (0.43) MAPTMAOAMAOBSMN1; SMN2MEN1
SCHEMBL12590260 0.76 CYP2A6 (0.40) ALKBH3MAPTKDM4EUSP8USP7
SCHEMBL16601967 0.75 TDP2 (0.35) ALKBH3MAPTKDM4EUSP8USP7
SCHEMBL16602010 0.73 MAPT (0.40) MAPTSMN1; SMN2MEN1APAF1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993205-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2015-03-31 US disclosed