SCHEMBL11525685

SCHEMBL11525685

FC(F)(F)c1ccc(-c2ccc(-c3cccc4ccccc34)s2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.47
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA9 Q16790 3/20 0.47
KIF11 P52732 1/20 0.43
ENPP1 P22413 2/20 0.40
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
PRKDC P78527 2/20 0.38
TNKS O95271 1/20 0.38
WNT3A P56704 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
CHUK O15111 1/20 0.37
TXNRD1 Q16881 1/20 0.37
NOX4 Q9NPH5 1/20 0.37
CNR2 P34972 1/20 0.37
SCN5A Q14524 1/20 0.37
SCN9A Q15858 1/20 0.37
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36

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
SCHEMBL28224945 0.83 KIF11 (0.52) CA12CA1CA2CA9KIF11
SCHEMBL14190047 0.82 CA12 (0.50) CA12CA1CA2CA9PRKDC
SCHEMBL11523983 0.81 CA12 (0.51) CA12CA1CA2CA9PRKDC
SCHEMBL2182300 0.80 CA12 (0.41) CA12CA1CA2CA9ENPP1
SCHEMBL28473667 0.79 KIF11 (0.68) KIF11HDAC6HSD17B1HSD17B2
SCHEMBL13027907 0.79 CA12 (0.66) CA12CA1CA2CA9ENPP1
SCHEMBL13707355 0.79 CA12 (0.47) CA12CA1CA2CA9PRKDC
SCHEMBL14705447 0.79 KIF11 (0.52) KIF11HSD17B1HSD17B2PRF1
SCHEMBL27961778 0.79 KIF11 (0.52) KIF11HSD17B1HSD17B2PRF1
SCHEMBL23212772 0.79 MAPT (0.53) CA12CA1CA2CA9HDAC8

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-4174405-A MITICIDES UNIROYAL, INC. (US) 1979-11-13 US disclosed