SCHEMBL5865766

SCHEMBL5865766

N#CC=C(C#N)c1cccc(C(C#N)=CC#N)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.42
PDE4B Q07343 4/20 0.42
PDE4C Q08493 4/20 0.42
PDE4D Q08499 4/20 0.42
ALDH1A1 P00352 8/20 0.39
MAPT P10636 7/20 0.39
RAB9A P51151 5/20 0.39
NPC1 O15118 4/20 0.39
MAPK1 P28482 2/20 0.39
NPSR1 Q6W5P4 3/20 0.38
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
NQO2 P16083 1/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ESR1 P03372 2/20 0.34

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
SCHEMBL5865765 1.00 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL8743683 0.88 CA12 (0.42) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL29483451 0.87 MAPT (0.52) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL28724766 0.87 MAPT (0.52) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL11065106 0.84 ALDH1A1 (0.49) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL20365632 0.84 ALDH1A1 (0.49) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL3977494 0.84 ALDH1A1 (0.49) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL11313163 0.81 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DNQO2
SCHEMBL29483453 0.79 CES2 (0.46) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL28519063 0.79 CES2 (0.46) PDE4APDE4BPDE4CPDE4DALDH1A1

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
US-7041419-B2 Charge transfer compounds, charge generating compound and polymer MINOLTA CO., LTD. (JP) 2006-05-09 US disclosed
US-20030087171-A1 Organic photoreceptor unit MINOLTA CO., LTD. (JP) 2003-05-08 US disclosed