SCHEMBL4056602

SCHEMBL4056602

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR3 P22607 4/20 0.39
KDR P35968 3/20 0.39
NR1H2 P55055 1/20 0.37
HPGD P15428 2/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 1/20 0.36
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 1/20 0.34
HRH2 P25021 2/20 0.34
HRH1 P35367 2/20 0.34
DYRK3 O43781 1/20 0.33
DYRK1A Q13627 1/20 0.33
DYRK2 Q92630 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
CNR2 P34972 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL4241713 0.92 FGFR3 (0.38) FGFR3NR1H2HPGDRAB9ALMNA
SCHEMBL4237042 0.91 NR1H2 (0.38) NR1H2HPGDRAB9ANPC1SMN1; SMN2
SCHEMBL4301143 0.90 FGFR3 (0.43) FGFR3KDRNR1H2GAACNR2
SCHEMBL4057052 0.89 DYRK3 (0.42) FGFR3NR1H2HPGDRAB9ALMNA
SCHEMBL4232577 0.89 FGFR3 (0.39) FGFR3KDRNR1H2HPGDRAB9A
SCHEMBL4232436 0.87 NR1H2 (0.36) FGFR3NR1H2HPGDRAB9ALMNA
SCHEMBL4063530 0.86 KDM4E (0.38) FGFR3KDRNR1H2HPGDRAB9A
SCHEMBL4231082 0.84 NR1H2 (0.41) NR1H2RAB9ANPC1CYP1A2CYP2C19
SCHEMBL4243989 0.82 FFAR1 (0.36) NR1H2GAACNR2L3MBTL1
SCHEMBL4237855 0.82 NR1H2 (0.35) NR1H2HPGDRAB9ANPC1CYP1A2

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