SCHEMBL13655372

SCHEMBL13655372

CNc1ncc(-c2ccc(I)cc2)n1C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRA5 P31644 2/20 0.43
NR1H2 P55055 17/20 0.38
NR1H3 Q13133 3/20 0.35
TTK P33981 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 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
SCHEMBL4054860 0.88 GABRG2 (0.44) GABRG2GABRB3GABRA5NR1H2NR1H3
SCHEMBL4062460 0.82 GABRG2 (0.45) GABRG2GABRB3GABRA5NR1H2NR1H3
SCHEMBL4242529 0.80 GABRG2 (0.38) GABRG2GABRB3GABRA5NR1H2
SCHEMBL24368122 0.79 MAP4K4 (0.41) NR1H2
SCHEMBL13655228 0.76 KMT2A (0.42) NR1H2NR1H3
SCHEMBL28645084 0.75 ALDH1A1 (0.49)
SCHEMBL13663124 0.75 CNR2 (0.42) NR1H2NR1H3
SCHEMBL4055209 0.75 GABRG2 (0.43) GABRG2GABRB3GABRA5NR1H2TTK
SCHEMBL10117510 0.73 MEN1 (0.45) NR1H2
SCHEMBL10117536 0.72 MTOR (0.38) NR1H2

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