SCHEMBL4060823

SCHEMBL4060823

CCCCOC(=O)Nc1ncc(-c2ccccc2C#Cc2cccc(Cl)c2)n1C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.38
EPHX2 P34913 2/20 0.37
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
DYRK3 O43781 1/20 0.34
DYRK1A Q13627 1/20 0.34
DYRK2 Q92630 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP2C9 P11712 2/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
FAAH O00519 1/20 0.34
HPGD P15428 2/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
NR1H2 P55055 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
SCHEMBL4231079 0.91 ALDH1A1 (0.38) KDM4EHSD17B10RAB9ANPC1FAAH
SCHEMBL4301152 0.90 GRM5 (0.42) GRM5CYP2C9PTGDR2NR1H2
SCHEMBL4057052 0.89 DYRK3 (0.42) GRM5EPHX2DYRK3DYRK1ADYRK2
SCHEMBL4065419 0.88 ALDH1A1 (0.33) KDM4EHSD17B10RAB9ANPC1KMT2A
SCHEMBL4235750 0.87 KDM4E (0.44) KDM4EHSD17B10RAB9ANPC1KMT2A
SCHEMBL4241719 0.83 P2RY12 (0.35) KDM4EHSD17B10RAB9ANPC1CYP2C9
SCHEMBL4063530 0.83 KDM4E (0.38) KDM4EHSD17B10RAB9AMEN1KMT2A
SCHEMBL4241713 0.83 FGFR3 (0.38) KDM4EHSD17B10RAB9ANPC1CYP2C9
SCHEMBL4237158 0.82 NR1H2 (0.35) KDM4EHSD17B10RAB9ANPC1HPGD
SCHEMBL4242833 0.81 PTPN1 (0.35) 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