SCHEMBL5314889

SCHEMBL5314889

C=CC(=O)NCc1ccc(-c2cncc(C(=O)Nc3c(C)cccc3C)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.57
HDAC1 Q13547 6/20 0.52
SCN10A Q9Y5Y9 4/20 0.49
SCN2A Q99250 2/20 0.49
KDM1A O60341 5/20 0.47
PDGFRA P16234 1/20 0.47
KDR P35968 1/20 0.47
EPHB4 P54760 1/20 0.43
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
CTSA P10619 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
SCHEMBL5315796 0.91 CHRNA7 (0.51) CHRNA7HDAC1SCN10ASCN2AKDM1A
SCHEMBL14494780 0.88 CHRNA7 (0.59) CHRNA7HDAC1SCN10ASCN2AKDM1A
SCHEMBL5312257 0.85 CHRNA7 (0.61) CHRNA7SCN10ASCN2APDGFRAKDR
SCHEMBL5335824 0.84 CHRNA7 (0.55) CHRNA7HDAC1SCN10ASCN2AKDM1A
SCHEMBL14495087 0.83 CHRNA7 (0.51) CHRNA7HDAC1SCN10ASCN2AKDM1A
SCHEMBL5313064 0.82 CHRNA7 (0.66) CHRNA7HDAC1SCN10ASCN2ACCNC
SCHEMBL5317038 0.80 BTK (0.57) CHRNA7PDGFRAKDREPHB4
SCHEMBL14573319 0.79 CHRNA7 (0.70) CHRNA7SCN10ASCN2ACCNCCDK8
SCHEMBL14494779 0.78 CHRNA7 (0.53) CHRNA7HDAC1SCN10ASCN2AEPHB4
SCHEMBL5312650 0.78 CHRNA7 (0.60) CHRNA7HDAC1SCN10ASCN2AKDM1A

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