SCHEMBL4242529

SCHEMBL4242529

CCCCOC(=O)Nc1ncc(-c2ccc(I)cc2)n1C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
NR1H2 P55055 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
CSNK2A2 P19784 2/20 0.37
CSNK2A1 P68400 2/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 8/20 0.35
NPC1 O15118 7/20 0.35
SMN1; SMN2 Q16637 7/20 0.35
HPGD P15428 3/20 0.35
MAPT P10636 3/20 0.35
ALDH1A1 P00352 3/20 0.35
CASP1 P29466 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35
MCL1 Q07820 1/20 0.35
NFKB1 P19838 2/20 0.35
NFKB2 Q00653 2/20 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
SCHEMBL4231082 0.87 NR1H2 (0.41) NR1H2CSNK2A2CSNK2A1GAARAB9A
SCHEMBL4239515 0.87 KDM4E (0.39) NR1H2L3MBTL1GAARAB9ANPC1
SCHEMBL4054860 0.86 GABRG2 (0.44) GABRG2GABRB3GABRA5NR1H2
SCHEMBL4057543 0.85 NR1H2 (0.36) GABRG2GABRB3GABRA5NR1H2L3MBTL1
SCHEMBL4237042 0.85 NR1H2 (0.38) GABRG2GABRB3GABRA5NR1H2L3MBTL1
SCHEMBL4243989 0.84 FFAR1 (0.36) NR1H2L3MBTL1CSNK2A2CSNK2A1GAA
SCHEMBL4238011 0.83 NR1H2 (0.37) GABRG2GABRB3GABRA5NR1H2L3MBTL1
SCHEMBL4237855 0.83 NR1H2 (0.35) GABRG2GABRB3GABRA5NR1H2L3MBTL1
SCHEMBL4057049 0.82 RAB9A (0.38) L3MBTL1GAARAB9ANPC1SMN1; SMN2
SCHEMBL4241713 0.81 FGFR3 (0.38) NR1H2GAARAB9ANPC1SMN1; 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-2009123753-A1 INHIBITION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-PHENYL DERIVATIVES NORTH CAROLINA STATE UNIVERSITY (US) 2009-10-08 WO disclosed