SCHEMBL28073095

SCHEMBL28073095

Cc1ccc(Nc2cc(C#N)ccc2N)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.54
KDM4E B2RXH2 5/20 0.54
ALDH1A1 P00352 4/20 0.54
MAPT P10636 4/20 0.53
TDP1 Q9NUW8 2/20 0.53
GSK3B P49841 2/20 0.50
CSNK1A1 P48729 1/20 0.50
CSNK1D P48730 1/20 0.50
CSNK1G2 P78368 1/20 0.50
MAPKAPK2 P49137 1/20 0.47
CYP2A6 P11509 1/20 0.47
TBXA2R P21731 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
NPC1 O15118 1/20 0.43
GFER P55789 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
SCHEMBL28072955 0.87 GAA (0.50) GAAKDM4EALDH1A1MAPTTDP1
SCHEMBL17940771 0.84 GAA (0.48) GAAKDM4EALDH1A1MAPTTDP1
SCHEMBL29642840 0.84 GAA (0.48) GAAKDM4EALDH1A1MAPTTDP1
SCHEMBL11900810 0.83 GAA (0.76) GAAKDM4EALDH1A1MAPTTDP1
SCHEMBL17940699 0.83 IDO1 (0.56) GAAKDM4EALDH1A1MAPTTBXA2R
SCHEMBL29642825 0.83 IDO1 (0.56) GAAKDM4EALDH1A1MAPTTBXA2R
SCHEMBL28492460 0.81 KDM4E (0.44) GAAKDM4EALDH1A1MAPTGSK3B
SCHEMBL30615367 0.81 KDM4E (0.44) GAAKDM4EALDH1A1MAPTGSK3B
SCHEMBL1624772 0.78 KDM4E (0.48) GAAKDM4EALDH1A1MAPTMAPKAPK2
SCHEMBL15285949 0.77 KDM4E (0.50) GAAKDM4EALDH1A1MAPTMAPKAPK2

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
CN-105820122-A Organic electroluminescent material and device 环球展览公司 2016-08-03 CN disclosed