SCHEMBL15744774

SCHEMBL15744774

Cc1ccc(C#CC#Cc2ccc(OBO)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.38
APP P05067 2/20 0.36
GRM5 P41594 2/20 0.36
ACHE P22303 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP2A6 P11509 1/20 0.34
LMNA P02545 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
KCNH2 Q12809 1/20 0.34
FFAR1 O14842 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
AR P10275 1/20 0.32
VCP P55072 1/20 0.32
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
TEAD4 Q15561 1/20 0.31

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
SCHEMBL15744765 0.92 APP (0.42) WDR5APPGRM5ACHEALDH1A1
SCHEMBL15744764 0.92 APP (0.42) WDR5APPGRM5ACHEALDH1A1
SCHEMBL2602434 0.84 ACHE (0.48) WDR5ACHEALDH1A1LMNACA1
SCHEMBL25590573 0.79 ENPP2 (0.41) APPCA1CA2TSHR
SCHEMBL15744763 0.78 ACHE (0.42) WDR5ACHEALDH1A1LMNACA1
SCHEMBL5012559 0.77 ALDH1A1 (0.52) GRM5ACHEALDH1A1CYP2A6LMNA
SCHEMBL14477632 0.72 MEN1 (0.33) CA12CA1CA2CA9
SCHEMBL25590575 0.70 ENPP2 (0.44) APPCA1CA2FFAR1TSHR
SCHEMBL25491841 0.70 PRSS1 (0.55) ALDH1A1LMNA
SCHEMBL5946335 0.70 CA2 (0.46) ALDH1A1CYP2A6LMNACA12CA1

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-20140148596-A1 Covalent Organic Frameworks and Methods of Making Same CORNELL UNIVERSITY (US) 2014-05-29 US disclosed