SCHEMBL3232177

SCHEMBL3232177

Nc1ccc(C(=O)N2CC(O)C2)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
SCN9A Q15858 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.41
KDM5A P29375 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
L3MBTL3 Q96JM7 1/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39
PDE10A Q9Y233 1/20 0.39
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
VNN1 O95497 1/20 0.38
PDK2 Q15119 1/20 0.38
CCR8 P51685 4/20 0.38
KCNH2 Q12809 4/20 0.38
TLR2 O60603 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
SCHEMBL24756487 0.86 SCN9A (0.42) SMN1; SMN2SCN9AKDM5AL3MBTL1L3MBTL3
SCHEMBL21485443 0.83 CHRNA4 (0.43) SMN1; SMN2KDM5AL3MBTL1L3MBTL3CHRNB2
SCHEMBL15649431 0.82 SCN9A (0.44) SMN1; SMN2SCN9AKDM5AL3MBTL1L3MBTL3
SCHEMBL13467180 0.82 CCNC (0.50) SMN1; SMN2SCN9AKDM5APDE10APDK2
SCHEMBL20254512 0.81 SMN1; SMN2 (0.41) SMN1; SMN2SCN9ASCN10AL3MBTL1L3MBTL3
SCHEMBL13467096 0.81 PDE10A (0.56) SMN1; SMN2SCN9ASCN10AKDM5AL3MBTL1
SCHEMBL13280171 0.80 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1L3MBTL3CCR8KCNH2
SCHEMBL4063719 0.80 L3MBTL1 (0.51) SMN1; SMN2L3MBTL1L3MBTL3CCR8KCNH2
SCHEMBL29618361 0.79 L3MBTL1 (0.50) SMN1; SMN2L3MBTL1L3MBTL3CCR8KCNH2
SCHEMBL1758990 0.79 L3MBTL1 (0.50) SMN1; SMN2L3MBTL1L3MBTL3CCR8KCNH2

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-2010010184-A1 [1, 2, 4] TRIAZOLO [1, 5-A] PYRIDINES AS JAK INHIBITORS GALAPAGOS NV (BE) 2010-01-28 WO disclosed