SCHEMBL5312650

SCHEMBL5312650

Cc1cccc(C)c1NC(=O)c1cncc(-c2ccc(COC(N)=O)cc2)c1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.60
SCN10A Q9Y5Y9 6/20 0.46
SCN2A Q99250 2/20 0.46
CCNC P24863 4/20 0.46
CDK8 P49336 4/20 0.46
HDAC1 Q13547 2/20 0.44
CTSA P10619 2/20 0.43
KCNH2 Q12809 1/20 0.43
KDM1A O60341 1/20 0.42
XDH P47989 2/20 0.42
S1PR4 O95977 1/20 0.41

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
SCHEMBL5312509 0.90 CHRNA7 (0.53) CHRNA7SCN10ASCN2ACCNCCDK8
SCHEMBL5313064 0.88 CHRNA7 (0.66) CHRNA7SCN10ASCN2ACCNCCDK8
SCHEMBL14573319 0.84 CHRNA7 (0.70) CHRNA7SCN10ASCN2ACCNCCDK8
SCHEMBL5315263 0.83 CHRNA7 (0.69) CHRNA7SCN10ASCN2ACCNCCDK8
SCHEMBL14494780 0.80 CHRNA7 (0.59) CHRNA7SCN10ASCN2ACCNCCDK8
SCHEMBL5315413 0.79 CHRNA7 (0.57) CHRNA7SCN10ASCN2ACDK8HDAC1
SCHEMBL5314889 0.78 CHRNA7 (0.57) CHRNA7SCN10ASCN2ACCNCCDK8
SCHEMBL5315210 0.77 CHRNA7 (0.61) CHRNA7SCN10ASCN2ACCNCCDK8
SCHEMBL5335824 0.76 CHRNA7 (0.55) CHRNA7SCN10ASCN2ACCNCCDK8
SCHEMBL5312257 0.75 CHRNA7 (0.61) CHRNA7SCN10ASCN2ACCNCCDK8

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-2007062459-A1 SELECTIVE KINASE INHIBITORS BASED ON PYRIDINE SCAFFOLD CYTOPIA RESEARCH PTY LTD (AU) 2007-06-07 WO disclosed