SCHEMBL8600507

SCHEMBL8600507

CCNc1ccnnc1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
SYK P43405 9/20 0.37
KCNH2 Q12809 3/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
HTT P42858 1/20 0.37
GFER P55789 1/20 0.37
PLEC Q15149 1/20 0.37
LRRK2 Q5S007 2/20 0.36
AOC1 P19801 1/20 0.35
AOC3 Q16853 1/20 0.35
HSD17B10 Q99714 1/20 0.35
P2RX7 Q99572 1/20 0.34
MAP2K3 P46734 1/20 0.34
MAPK14 Q16539 1/20 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
SCHEMBL28111204 0.81 MAP2K3 (0.50) SYKKDM4EALDH1A1GAALRRK2
SCHEMBL28051960 0.77 MKNK1 (0.50) MKNK1MKNK2KDM4EALDH1A1HPGD
SCHEMBL18992945 0.75 MKNK1 (0.40) MKNK1MKNK2SYKKDM4EALDH1A1
SCHEMBL22290178 0.75 P2RX7 (0.34) SYKKDM4EALDH1A1HPGDLRRK2
SCHEMBL27202091 0.75 IKBKB (0.34) SYKKCNH2KDM4EALDH1A1HPGD
SCHEMBL30542987 0.73 MAP2K3 (0.32) SYKMAP2K3MAPK14
SCHEMBL16506569 0.72 GAA (0.40) MKNK1MKNK2SYKKCNH2KDM4E
SCHEMBL1403852 0.71 SIRT3 (0.46) MKNK1MKNK2SYKKDM4ELRRK2
SCHEMBL11825782 0.70 AOC1 (0.38) KCNH2KDM4EALDH1A1HPGDGAA
SCHEMBL29088329 0.70 IKBKB (0.46) MKNK1MKNK2ALDH1A1HPGDGAA

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
EP-0847391-A1 AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ZENECA LIMITED (GB) 1998-06-17 EP disclosed
WO-1997000864-A1 AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ZENECA LIMITED (GB) 1997-01-09 WO disclosed