SCHEMBL2936752

SCHEMBL2936752

COC(=O)c1nccnc1N(c1ccccc1CC(F)F)S(=O)(=O)Cc1cc(C)ccc1C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.34
HSP90AA1 P07900 1/20 0.33
HSP90B1 P14625 1/20 0.33
KIF11 P52732 1/20 0.32
ABL1 P00519 1/20 0.32
SRC P12931 1/20 0.32
BMP1 P13497 1/20 0.32
PTK2 Q05397 3/20 0.32
GRM4 Q14833 1/20 0.31
PTGER1 P34995 1/20 0.30
HPGD P15428 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
SCHEMBL272180 0.82 NOTUM (0.33) SMN1; SMN2KIF11ABL1SRCPTK2
SCHEMBL2936753 0.80 PIK3C3 (0.34) SMN1; SMN2KIF11ABL1SRCBMP1
SCHEMBL270665 0.76 BMP1 (0.38) SMN1; SMN2HSP90AA1HSP90B1KIF11ABL1
SCHEMBL271739 0.74 MAPT (0.34)
SCHEMBL272015 0.73 MRGPRX4 (0.36) HSP90AA1HSP90B1
SCHEMBL271254 0.73 GRM4 (0.38) SMN1; SMN2HSP90AA1HSP90B1KIF11ABL1
SCHEMBL270928 0.72 NOTUM (0.35) KIF11ABL1SRCPTK2GRM4
SCHEMBL2373247 0.71 GRM4 (0.38) SMN1; SMN2HSP90AA1HSP90B1KIF11ABL1
SCHEMBL272109 0.70 MAPT (0.37)
SCHEMBL270522 0.70 MRGPRX4 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2220056-A1 HERBICIDAL COMPOUNDS Syngenta Limited (GB) 2010-08-25 EP disclosed
WO-2009063180-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2009-05-22 WO disclosed