SCHEMBL21236828

SCHEMBL21236828

NC(=O)c1cc(CCO)cc(-c2ccc(O)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 16/20 0.47
CA2 P00918 1/20 0.41
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.37
NTSR1 P30989 1/20 0.37
KMT2A Q03164 1/20 0.37
DGAT1 O75907 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
SCHEMBL21236931 0.86 SCN9A (0.62) SCN9AKDM4E
SCHEMBL21236837 0.81 SCN9A (0.72) SCN9A
SCHEMBL21236892 0.78 SCN9A (0.67) SCN9A
SCHEMBL21236981 0.78 SCN9A (0.67) SCN9A
SCHEMBL21236943 0.78 SCN9A (0.67) SCN9AKDM4E
SCHEMBL21236866 0.75 SCN9A (0.69) SCN9A
SCHEMBL21236886 0.74 SCN9A (0.70) SCN9A
SCHEMBL21236860 0.74 SCN9A (0.70) SCN9A
SCHEMBL11160098 0.71 SCN9A (0.44) SCN9AKDM4EMEN1KMT2A
SCHEMBL16129942 0.70 ALDH1A1 (0.62) SCN9ADGAT1

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
EP-2616441-B1 PYRIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA LP (US) 2019-08-07 EP disclosed