SCHEMBL5301600

SCHEMBL5301600

CC(CNC(=O)CN)c1ccccc1-c1cccc(C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.46
GPR139 Q6DWJ6 1/20 0.40
ADAMTS4 O75173 1/20 0.40
AOC3 Q16853 2/20 0.39
MCHR1 Q99705 2/20 0.39
CHRM3 P20309 1/20 0.39
CTSA P10619 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.39
HPGDS O60760 1/20 0.38
MAOB P27338 1/20 0.38
KAT6A Q92794 1/20 0.38
PDE4D Q08499 1/20 0.38
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TNF P01375 1/20 0.37
MMP2 P08253 1/20 0.37
NAMPT P43490 1/20 0.37

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
SCHEMBL5306282 0.84 HSP90AA1 (0.41) AOC3CHRM3L3MBTL1MMP2
SCHEMBL5304740 0.80 AKR1C3 (0.43) MAPK1SMN1; SMN2L3MBTL1
SCHEMBL5304827 0.79 PRKCZ (0.41) MAPK1SMN1; SMN2MMP2
SCHEMBL5309071 0.77 SLC6A4 (0.42) GPR139AOC3SMN1; SMN2L3MBTL1MMP2
SCHEMBL5304270 0.75 LMNA (0.52) MAPK1
SCHEMBL10094585 0.74 ADRA2C (0.51) ADRA2CPTGDR2MAOB
Maleic Acid SCHEMBL9879499 0.70 ADRA2C (0.49) ADRA2CGPR139ADAMTS4CHRM3PTGDR2
SCHEMBL6164469 0.70 HPGDS (0.46) ADRA2CPTGDR2HPGDSMAOBKAT6A
SCHEMBL6165960 0.70 TNF (0.48) ADRA2CPTGDR2HPGDSMAOBTNF
SCHEMBL7108450 0.69 ADRA2C (0.44) ADRA2CPTGDR2HPGDSMAOBKAT6A

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
WO-2007017652-A2 ARYLAKYLAMINES FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2007-02-15 WO claimed