SCHEMBL2106428

SCHEMBL2106428

CCCc1[c]c(I)c(-c2ccc(C#N)cc2)c(C(F)(C(F)(F)F)C(F)(F)F)c1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP19A1 P11511 2/20 0.32
CTSS P25774 5/20 0.31
CTSK P43235 5/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
MLYCD O95822 1/20 0.30

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
SCHEMBL1946692 0.91 KIF11 (0.35) KIF11TSHRHSD17B10
SCHEMBL2105478 0.86 KIF11 (0.34) KIF11TSHRHSD17B10CTSSCTSK
SCHEMBL1946686 0.85 KIF11 (0.33) KIF11
SCHEMBL1948959 0.82 KIF11 (0.40) KIF11MLYCD
SCHEMBL1946386 0.81 KIF11 (0.39) KIF11MLYCD
SCHEMBL1948399 0.81 KIF11 (0.37) KIF11MLYCD
SCHEMBL17554858 0.77 KIF11 (0.36) KIF11TSHRHSD17B10
SCHEMBL1947004 0.76 KIF11 (0.35) KIF11
SCHEMBL2107804 0.76 KIF11 (0.35) KIF11TSHRHSD17B10
SCHEMBL1951272 0.76 KIF11 (0.35) KIF11TSHRHSD17B10

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-8163804-B2 Composition for preventing harmful organisms MITSUI CHEMICALS, INC. (JP) 2012-04-24 US disclosed