SCHEMBL4057543

SCHEMBL4057543

CCCCOC(=O)Nc1ncc(-c2ccc(C#C[Si](C)(C)C)cc2)n1C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.34
GABRA1 P14867 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA2 P47869 2/20 0.34
GABRA6 Q16445 2/20 0.34
CSNK2A2 P19784 2/20 0.34
CSNK2A1 P68400 2/20 0.34
GAA P10253 1/20 0.34
GABRA3 P34903 1/20 0.34
NPC1 O15118 6/20 0.33
RAB9A P51151 6/20 0.33
SMN1; SMN2 Q16637 5/20 0.33
MAPT P10636 3/20 0.33
ALDH1A1 P00352 4/20 0.33
TSHR P16473 2/20 0.33
EGLN2 Q96KS0 1/20 0.33
HPGD P15428 2/20 0.32

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 0.91 NR1H2 (0.41) NR1H2CSNK2A2CSNK2A1GAANPC1
SCHEMBL4237042 0.90 NR1H2 (0.38) NR1H2L3MBTL1GABRA1GABRG2GABRB3
SCHEMBL4243989 0.88 FFAR1 (0.36) NR1H2L3MBTL1CSNK2A2CSNK2A1GAA
SCHEMBL4297924 0.88 EGLN2 (0.41) NR1H2GABRA1GABRG2GABRB3GABRA5
SCHEMBL4237855 0.87 NR1H2 (0.35) NR1H2L3MBTL1GABRA1GABRG2GABRB3
SCHEMBL4238011 0.87 NR1H2 (0.37) NR1H2L3MBTL1GABRA1GABRG2GABRB3
SCHEMBL4242529 0.85 GABRG2 (0.38) NR1H2L3MBTL1GABRG2GABRB3GABRA5
SCHEMBL4068204 0.84 KDM4E (0.39) NR1H2L3MBTL1GAASMN1; SMN2MAPT
SCHEMBL4241713 0.83 FGFR3 (0.38) NR1H2GAANPC1RAB9ASMN1; SMN2
SCHEMBL4232436 0.81 NR1H2 (0.36) NR1H2GAARAB9AHPGD

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