SCHEMBL28113687

SCHEMBL28113687

CN(c1cccc(CSCc2cc[nH]c2)c1C(F)(F)F)S(C)(=O)=O

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.32
TNF P01375 1/20 0.32
RAB9A P51151 1/20 0.32
NOD1 Q9Y239 1/20 0.32
CLK2 P49760 1/20 0.31
AURKB Q96GD4 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
PTK2 Q05397 2/20 0.31
PTK2B Q14289 1/20 0.31
TYK2 P29597 1/20 0.31

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
SCHEMBL18804633 0.76 KMT2A (0.39) CLK2AURKBCLK4PTK2PTK2B
SCHEMBL17196823 0.75 KMT2A (0.37) CLK2AURKBCLK4PTK2PTK2B
SCHEMBL20246839 0.75 PTK2 (0.36) PTK2PTK2B
SCHEMBL17187943 0.74 KMT2A (0.39) CLK2AURKBCLK4PTK2PTK2B
SCHEMBL20246840 0.72 KMT2A (0.35) CLK2AURKBCLK4PTK2PTK2B
SCHEMBL17196886 0.71 KMT2A (0.37) CLK2AURKBCLK4PTK2PTK2B
SCHEMBL17187891 0.71 BRD4 (0.38) PTK2
SCHEMBL17187948 0.68 PTK2 (0.41) PTK2TYK2
SCHEMBL17187868 0.67 KMT2A (0.39) PTK2PTK2BTYK2
SCHEMBL17187964 0.67 KMT2A (0.39) CLK2AURKBCLK4PTK2TYK2

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
CN-106232604-A Substituted pyridine compounds having herbicidal activity 巴斯夫欧洲公司 2016-12-14 CN disclosed