SCHEMBL20169742

SCHEMBL20169742

Nc1ncc(-c2ccc(I)cc2)[nH]1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 1/20 0.66
LTA4H P09960 1/20 0.56
SCN9A Q15858 2/20 0.43
SCN3A Q9NY46 2/20 0.41
SCN2A Q99250 3/20 0.38
NPY5R Q15761 1/20 0.38
SCN10A Q9Y5Y9 3/20 0.38
METAP2 P50579 1/20 0.37
AOC3 Q16853 2/20 0.37
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
GFER P55789 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
HPGDS O60760 1/20 0.33

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
SCHEMBL4053949 0.83 MASP2 (0.70) MASP2LTA4HSCN9ASCN3ASCN2A
SCHEMBL10979 0.82 MASP2 (0.68) MASP2LTA4HSCN9ASCN3ASCN2A
Hydrochloric Acid SCHEMBL4061012 0.82 MASP2 (0.68) MASP2LTA4HSCN9ASCN3ASCN2A
SCHEMBL19471383 0.80 LTA4H (0.81) MASP2LTA4HSCN9ASCN3ASCN2A
SCHEMBL8221175 0.80 MASP2 (0.66) MASP2LTA4HSCN9ASCN3APOLB
SCHEMBL18130901 0.80 MASP2 (0.66) MASP2LTA4HSCN9ASCN3ASCN2A
SCHEMBL725351 0.79 MASP2 (1.00) MASP2LTA4HSCN9ASCN2ANPY5R
SCHEMBL20169739 0.78 MASP2 (0.62) MASP2LTA4HSCN9ASCN3ASCN2A
SCHEMBL2768364 0.78 MASP2 (0.68) MASP2LTA4HSCN9ASCN3ASCN2A
SCHEMBL17533003 0.76 CYP2A6 (0.53) MASP2SCN2ANPY5RSCN10AMETAP2

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