SCHEMBL805974

SCHEMBL805974

N#Cc1ccc(Oc2ccc(-c3cccc(CNCCNCCN)n3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 18/20 0.62
IKBKB O14920 1/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL10284138 0.85 SCN9A (0.59) SCN9A
SCHEMBL805954 0.85 SCN9A (0.69) SCN9A
SCHEMBL805973 0.82 SCN9A (0.61) SCN9A
SCHEMBL806018 0.79 SCN9A (0.68) SCN9A
SCHEMBL787484 0.77 SCN9A (1.00) SCN9A
SCHEMBL21236833 0.75 SCN9A (0.62) SCN9AKDM4ELMNASMN1; SMN2
SCHEMBL805907 0.74 SCN9A (0.65) SCN9ALMNA
SCHEMBL9256336 0.73 IRAK4 (0.49) SCN9A
SCHEMBL10284267 0.72 SCN9A (0.67) SCN9AKDM4ELMNASMN1; SMN2
SCHEMBL805975 0.70 SCN9A (0.55) SCN9AKDM4ELMNASMN1; SMN2

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-2012035421-A2 PYRIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. (US) 2012-03-22 WO disclosed