SCHEMBL6509937

SCHEMBL6509937

C#Cc1cccc(-c2cccnc2C#C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 2/20 0.41
MAP4K4 O95819 1/20 0.40
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
KCNA5 P22460 1/20 0.34
KCNH2 Q12809 1/20 0.34
GRM5 P41594 2/20 0.33
TDP2 O95551 1/20 0.33
USP30 Q70CQ3 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
ASIC3 Q9UHC3 1/20 0.32
ADRA2C P18825 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL3580838 0.82 CYP11B2 (0.48) CLK4MAP4K4PRMT5WDR77CYP2C19
SCHEMBL3920052 0.80 CYP2A6 (0.40) MAP4K4GRM5ALDH1A1MAPK1HSD17B10
SCHEMBL15723881 0.80 CLK4 (0.38) CLK4MAP4K4CA12CA1CA2
SCHEMBL4396963 0.77 CLK4 (0.67) CLK4CA12CA1CA2CA9
SCHEMBL17165427 0.75 HDAC8 (0.39) CLK4KCNA5TDP2
SCHEMBL3800244 0.74 CYP2A6 (0.41) CA12CA1CA2CA9CA14
SCHEMBL19992474 0.73 CA12 (0.45) CLK4CA12CA1CA2CA9
SCHEMBL3841296 0.73 CA12 (0.48) CLK4CA12CA1CA2CA9
SCHEMBL28139429 0.73 NPC1 (0.50) ALDH1A1HSD17B10
SCHEMBL17117023 0.72 PRMT5 (0.46) CLK4MAP4K4GRM5PRMT5WDR77

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050101063-A1 Three-terminal field-controlled molecular devices TOUR JAMES M (US) 2005-05-12 US disclosed
WO-2002035580-A2 THREE-TERMINAL FIELD-CONTROLLED MOLECULAR DEVICES MOLECULAR ELECTRONICS CORPORATION (US) 2002-05-02 WO disclosed