SCHEMBL13655228

SCHEMBL13655228

CC(C)(C)OC(=O)Nc1ncc(-c2ccc(-c3ccccc3)cc2)n1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.42
NR1H2 P55055 11/20 0.41
USP30 Q70CQ3 2/20 0.41
CNR2 P34972 1/20 0.41
NR1H3 Q13133 1/20 0.40
BRD9 Q9H8M2 1/20 0.40
CKS1B P61024 2/20 0.39
SKP1 P63208 2/20 0.39
SKP2 Q13309 2/20 0.39
CYP17A1 P05093 2/20 0.39

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
SCHEMBL13663124 0.98 CNR2 (0.42) KMT2ANR1H2USP30CNR2NR1H3
SCHEMBL4062421 0.90 EGLN2 (0.41) NR1H2CNR2NR1H3BRD9
SCHEMBL13655087 0.88 BRD9 (0.39) NR1H2USP30CNR2BRD9CKS1B
SCHEMBL4054860 0.88 GABRG2 (0.44) NR1H2NR1H3CYP17A1
SCHEMBL4233651 0.85 PTGES (0.38) NR1H2USP30CNR2BRD9CKS1B
SCHEMBL4055209 0.84 GABRG2 (0.43) NR1H2CNR2BRD9CYP17A1
SCHEMBL4239511 0.84 GABRG2 (0.38) NR1H2BRD9
SCHEMBL4062422 0.83 TTK (0.38) NR1H2NR1H3CYP17A1
SCHEMBL13655104 0.82 SYK (0.39) NR1H2CYP17A1
SCHEMBL4297924 0.82 EGLN2 (0.41) NR1H2CYP17A1

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