SCHEMBL13655367

SCHEMBL13655367

NC1=NCC(c2ccccc2C#Cc2cccc(Cl)c2)N1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.36
KCNH2 Q12809 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
CYP2C9 P11712 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ABL1 P00519 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
GFER P55789 1/20 0.32

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
SCHEMBL13655085 0.86 MAPT (0.47) GRM5CYP2C9KDM4EMEN1NPC1
SCHEMBL13655360 0.73 PTGES (0.38) GRM5KCNH2MEN1KMT2AABL1
SCHEMBL28705276 0.73 CYP2C9 (0.63) GRM5KCNH2CYP2C9KDM4EMEN1
SCHEMBL29429000 0.73 CYP2C9 (0.63) GRM5KCNH2CYP2C9KDM4EMEN1
SCHEMBL13655366 0.71 HTR5A (0.36)
SCHEMBL13655361 0.68 MAPT (0.43) GRM5CYP2C9KDM4EMEN1NPC1
SCHEMBL30707869 0.66 KCNH2 (0.67) GRM5KCNH2CYP2C9ALDH1A1PTGDR2
SCHEMBL4562631 0.66 KCNH2 (0.67) GRM5KCNH2CYP2C9ALDH1A1PTGDR2
SCHEMBL29120762 0.64 KCNH2 (0.49) GRM5KCNH2CYP2C9KDM4EMEN1
SCHEMBL29785704 0.64 KCNH2 (0.49) GRM5KCNH2CYP2C9KDM4EMEN1

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