SCHEMBL4063530

SCHEMBL4063530

CCCCOC(=O)Nc1ncc(-c2cccc(C#Cc3ccccc3OC)c2)n1C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
FGFR3 P22607 1/20 0.35
KMT2A Q03164 2/20 0.35
F2 P00734 1/20 0.35
ALOX15 P16050 1/20 0.35
NR1H2 P55055 1/20 0.35
EGFR P00533 2/20 0.34
KDR P35968 2/20 0.34
PTGES O14684 1/20 0.34
LMNA P02545 3/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ACACB O00763 1/20 0.34
RIPK2 O43353 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL4068204 0.93 KDM4E (0.39) KDM4EHSD17B10KMT2AF2ALOX15
SCHEMBL4241713 0.91 FGFR3 (0.38) KDM4EHSD17B10FGFR3NR1H2PTGES
SCHEMBL4301158 0.90 PTGES (0.36) NR1H2EGFRKDRPTGESRIPK2
SCHEMBL4235750 0.89 KDM4E (0.44) KDM4EHSD17B10KMT2AF2ALOX15
SCHEMBL4057052 0.87 DYRK3 (0.42) FGFR3KMT2ANR1H2LMNAALDH1A1
SCHEMBL4232577 0.87 FGFR3 (0.39) FGFR3NR1H2KDRLMNACYP1A2
SCHEMBL4056602 0.86 FGFR3 (0.39) FGFR3NR1H2KDRLMNAALDH1A1
SCHEMBL4232436 0.85 NR1H2 (0.36) FGFR3NR1H2LMNAACACBHPGD
SCHEMBL4231082 0.84 NR1H2 (0.41) NR1H2ALDH1A1TSHRCYP1A2CYP2C19
SCHEMBL4060823 0.83 GRM5 (0.38) KDM4EHSD17B10KMT2ANR1H2LMNA

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