SCHEMBL6766733

SCHEMBL6766733

FC(F)(F)c1ccc(C#Cc2ccccn2)cc1

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.49
GRM5 P41594 4/20 0.47
ERN1 O75460 1/20 0.46
KCNH2 Q12809 1/20 0.44

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
SCHEMBL10236257 0.83 FFAR1 (0.49) FFAR1GRM5ERN1
SCHEMBL28950042 0.80 GRM5 (0.56) FFAR1GRM5ERN1KCNH2
SCHEMBL31673060 0.80 GRM5 (0.55) FFAR1GRM5ERN1KCNH2
SCHEMBL30214468 0.79 FFAR1 (0.58) FFAR1GRM5KCNH2
SCHEMBL1809895 0.79 FFAR1 (0.58) FFAR1GRM5KCNH2
Hydrochloric Acid SCHEMBL19668206 0.77 FFAR1 (0.57) FFAR1GRM5KCNH2
SCHEMBL2830955 0.77 ALDH1A1 (0.59) FFAR1GRM5
SCHEMBL16747679 0.77 KIF11 (0.56)
SCHEMBL352291 0.77 GRM5 (0.65) GRM5KCNH2
SCHEMBL14998069 0.77 KIF11 (0.56)

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
US-6686345-B2 INCLUDES AN AZA-ENEDIYNE, AZA-ENYNE ALLENE, OR AN AZA-DIALLENE; ARE PREFERABLY NON-HYDROLYZABLE, CATIONIC COMPOUNDS THAT BIND TO NUCLEIC ACIDS. RESEARCH DEVELOPMENT FOUNDATION 2004-02-03 US disclosed