SCHEMBL13655360

SCHEMBL13655360

COc1ccccc1C#Cc1cccc(C2CN=C(N)N2)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.38
GRM5 P41594 4/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
FFAR1 O14842 1/20 0.36
HTR5A P47898 1/20 0.34
PAX8 Q06710 5/20 0.34
ABL1 P00519 1/20 0.34
POLB P06746 1/20 0.33
KCNH2 Q12809 1/20 0.33
DHFR P00374 1/20 0.33
HAO1 Q9UJM8 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
SCHEMBL13655367 0.73 GRM5 (0.36) GRM5MEN1KMT2AABL1KCNH2
SCHEMBL13655361 0.73 MAPT (0.43) GRM5MEN1KMT2AFFAR1
SCHEMBL13655085 0.72 MAPT (0.47) GRM5MEN1KMT2ADHFR
SCHEMBL17887717 0.70 NOS1 (0.41) MEN1KMT2A
SCHEMBL13655204 0.70 NOS1 (0.41) MEN1KMT2A
SCHEMBL2774016 0.69 FFAR1 (0.60) PTGESGRM5L3MBTL1MEN1KMT2A
SCHEMBL13655366 0.68 HTR5A (0.36) HTR5ADHFR
SCHEMBL28353226 0.68 GRM5 (0.49) PTGESGRM5L3MBTL1MEN1KMT2A
SCHEMBL29997548 0.68 GRM5 (0.49) PTGESGRM5L3MBTL1MEN1KMT2A
SCHEMBL4214499 0.67 CA1 (0.60) GRM5L3MBTL1MEN1KMT2AFFAR1

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