SCHEMBL20169736

SCHEMBL20169736

CC(=O)Nc1ccc(-c2cnc(N)[nH]2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.61
SCN3A Q9NY46 2/20 0.57
AOC3 Q16853 1/20 0.55
XDH P47989 1/20 0.53
HTT P42858 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MASP2 O00187 1/20 0.51
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
KDM4E B2RXH2 2/20 0.46
POLB P06746 2/20 0.46
LTA4H P09960 1/20 0.46
PRNP P04156 1/20 0.46
GAA P10253 1/20 0.46
NISCH Q9Y2I1 1/20 0.46
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45

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
SCHEMBL20501048 0.88 SCN9A (0.64) SCN9ASCN3AAOC3MASP2LTA4H
SCHEMBL28364786 0.86 SCN9A (0.62) SCN9ASCN3AAOC3MASP2LTA4H
SCHEMBL13655206 0.80 SCN3A (0.69) SCN9ASCN3AMASP2MEN1KMT2A
SCHEMBL13663135 0.78 SCN3A (0.69) SCN9ASCN3AHTTSMN1; SMN2L3MBTL1
SCHEMBL20501157 0.78 SCN9A (0.57) SCN9ASCN3AMASP2
SCHEMBL23812448 0.78 SCN9A (0.63) SCN9ASCN3AHTTSMN1; SMN2MASP2
SCHEMBL13655245 0.78 SCN9A (0.54) SCN9ASCN3AAOC3MASP2MEN1
SCHEMBL13663134 0.78 RAB9A (0.55) SCN9ASCN3ASMN1; SMN2MEN1KMT2A
SCHEMBL23812447 0.77 SCN9A (0.62) SCN9ASCN3AMASP2LTA4H
SCHEMBL16866191 0.76 SCN9A (0.52) SCN9ASCN3AAOC3HTTSMN1; 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
US-9975857-B2 Inhibition of bacterial biofilms with imidazole-phenyl derivatives NORTH CAROLINA STATE UNIVERSITY (US) 2018-05-22 US disclosed