SCHEMBL16601558

SCHEMBL16601558

NOc1ccc(Nc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.48
SCN9A Q15858 2/20 0.48
SCN5A Q14524 1/20 0.48
TTBK1 Q5TCY1 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 1/20 0.44
TTBK2 Q6IQ55 1/20 0.43
TRPV1 Q8NER1 1/20 0.42
KIF11 P52732 4/20 0.42
IDO1 P14902 2/20 0.42
EPHX2 P34913 1/20 0.42
GSK3B P49841 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CHRNA7 P36544 1/20 0.41

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
SCHEMBL8087112 0.87 CA1 (0.54) CA1CA2CA9KIF11IDO1
SCHEMBL394422 0.82 EPHX2 (0.56) CA1CA2KIF11EPHX2ALDH1A1
SCHEMBL1921455 0.82 EPHX2 (0.56) CA1CA2KIF11EPHX2ALDH1A1
SCHEMBL9827725 0.81 CA1 (0.48) KCNH2SCN9ASCN5ATTBK1CA1
SCHEMBL10994568 0.80 GAA (0.68) KIF11GSK3BALDH1A1
SCHEMBL16601557 0.77 GAA (0.44) KCNH2SCN9ASCN5ATTBK1CA1
SCHEMBL2131497 0.77 KIF11 (0.64) CA1CA2KIF11EPHX2ALDH1A1
SCHEMBL1921452 0.76 KIF11 (0.68) CA1CA2KIF11EPHX2
SCHEMBL12443124 0.74 ALDH1A1 (0.62) ALDH1A1
SCHEMBL503225 0.74 ALDH1A1 (0.62) KIF11EPHX2GSK3BALDH1A1

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-8993086-B2 Recordable optical recording medium TAIYO YUDEN CO., LTD. (JP) 2015-03-31 US disclosed