SCHEMBL7584727

SCHEMBL7584727

CN(C)c1ccccc1C(C#N)(c1ccccc1N(C)C)c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP2D6 P10635 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
OPRM1 P35372 1/20 0.33
DRD3 P35462 1/20 0.33
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CHEK1 O14757 1/20 0.30
NEK2 P51955 1/20 0.30
LIMK1 P53667 1/20 0.30
DYRK1A Q13627 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30

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
SCHEMBL5201654 0.75 KCNN4 (0.35) ALDH1A1GAAMAPTKDM4ECYP2D6
SCHEMBL7584721 0.69 SLC2A1 (0.42) ALDH1A1GAAMAPTKDM4ECYP2D6
SCHEMBL30454780 0.68 ACP1 (0.46) ALDH1A1GAAMAPTKDM4ECYP2D6
SCHEMBL1768874 0.68 ACP1 (0.46) ALDH1A1GAAMAPTKDM4ECYP2D6
SCHEMBL29987688 0.65 ALDH1A1 (0.46) ALDH1A1GAAMAPTKDM4ETP53
SCHEMBL1201242 0.65 ALDH1A1 (0.46) ALDH1A1GAAMAPTKDM4ETP53
SCHEMBL6735075 0.65 MAPT (0.38) ALDH1A1GAAMAPTKDM4ECYP2D6
Hydrochloric Acid SCHEMBL2870378 0.64 ALDH1A1 (0.44) ALDH1A1GAAMAPTKDM4ETP53
SCHEMBL2394417 0.62 KCNH2 (0.41) ALDH1A1MAPTKDM4ETSHR
SCHEMBL18517194 0.62 MAPT (0.43) ALDH1A1GAAMAPTKDM4ETP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6479217-B1 PHOTOSENSITIVE RECORDING; APPLYING ACTINIC RADIATION; PHOTOPOLYMERIZATION SPECTRA GROUP LIMITED, INC. 2002-11-12 US disclosed
US-20020160310-A1 Method for producing selectively colorable printing plates SPECTRA GROUP LIMITED, INC. 2002-10-31 US disclosed
US-6309797-B1 CONTAINING OXIDIZER; EXPOSURE TO ACTINIC RADIATION SPECTRA GROUP LIMITED, INC. 2001-10-30 US disclosed