SCHEMBL3816635

SCHEMBL3816635

COC(=O)c1ccc2sccc2c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK4 Q16654 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
KMT2A Q03164 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
CHEK1 O14757 1/20 0.40
MET P08581 1/20 0.40
GSK3B P49841 1/20 0.40
LIMK1 P53667 1/20 0.40
DYRK1A Q13627 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
KDM4E B2RXH2 3/20 0.39
MAPT P10636 3/20 0.39

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
SCHEMBL6283230 0.82 CA12 (0.46) CA12CA1CA2CA7PDK2
SCHEMBL6980834 0.82 CA12 (0.42) CA12CA1CA2CA7PDK2
SCHEMBL3812868 0.81 POLB (0.42) CA12CA1CA2CA7PDK2
SCHEMBL3815752 0.80 MRGPRX4 (0.43) CA12CA1CA2CA7CA9
SCHEMBL29599494 0.77 TSHR (0.46) CA1CA2CA9KMT2ASMN1; SMN2
SCHEMBL826816 0.77 TSHR (0.46) CA1CA2CA9KMT2ASMN1; SMN2
SCHEMBL522062 0.76 CA12 (0.52) CA12CA1CA2CA7PDK2
SCHEMBL7068980 0.76 KMT2A (0.49) CA12CA1CA2CA7PDK2
SCHEMBL20509597 0.74 KMT2A (0.41) CA12CA1CA2CA7PDK2
SCHEMBL3817412 0.74 KMT2A (0.41) CA12CA1CA2CA7PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1186594-B1 N-ALKOXYALKYL-N,N-DIALKYLAMINE DERIVATIVES OR SALTS THEREOF, AND REMEDIES FOR NERVE DEGENERATION DISEASES CONTAINING THE SAME TOYAMA CHEMICAL CO LTD (JP) 2009-08-05 EP disclosed
US-6797726-B1 N-alkoxyalkyl-N,N-dialkylamine derivatives or salts thereof, and remedies for nerve degeneration diseases containing the same TOYAMA CHEMICAL CO., LTD. (JP) 2004-09-28 US disclosed
EP-1186594-A1 N-ALKOXYALKYL-N,N-DIALKYLAMINE DERIVATIVES OR SALTS THEREOF, AND REMEDIES FOR NERVE DEGENERATION DISEASES CONTAINING THE SAME TOYAMA CHEMICAL CO., LTD. (JP) 2002-03-13 EP disclosed