SCHEMBL20169739

SCHEMBL20169739

Nc1ncc(-c2cccc(I)c2)[nH]1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 1/20 0.62
METAP2 P50579 1/20 0.44
LTA4H P09960 1/20 0.43
SCN9A Q15858 2/20 0.42
SCN4A P35499 1/20 0.42
SCN3A Q9NY46 1/20 0.42
SCN2A Q99250 4/20 0.41
NPY5R Q15761 4/20 0.38
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
KCNH2 Q12809 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
APP P05067 1/20 0.35

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
SCHEMBL4056971 0.82 MASP2 (0.67) MASP2METAP2LTA4HSCN9ASCN4A
Hydrochloric Acid SCHEMBL4053943 0.81 MASP2 (0.65) MASP2METAP2LTA4HSCN9ASCN4A
SCHEMBL20169745 0.79 MASP2 (0.62) MASP2METAP2LTA4HSCN9ASCN4A
SCHEMBL19501567 0.79 MASP2 (0.62) MASP2METAP2LTA4HSCN9ASCN4A
SCHEMBL20169742 0.78 MASP2 (0.66) MASP2METAP2LTA4HSCN9ASCN3A
SCHEMBL725351 0.77 MASP2 (1.00) MASP2LTA4HSCN9ASCN2ANPY5R
SCHEMBL16324218 0.76 NPY5R (0.60) MASP2LTA4HSCN2ANPY5RKCNH2
SCHEMBL19513444 0.76 MASP2 (0.57) MASP2NPY5R
SCHEMBL4063091 0.74 MASP2 (0.56) MASP2SCN9ASCN4ASCN3AMAPK13
SCHEMBL13655229 0.74 MASP2 (0.92) MASP2LTA4HSCN9ASCN2ANPY5R

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