SCHEMBL28004752

SCHEMBL28004752

CCS(=O)(=O)c1ccc(-c2nc3cc(C(F)(F)F)ccc3n2C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CA12 O43570 1/20 0.55
CA9 Q16790 1/20 0.55
RORC P51449 6/20 0.50
PTGER4 P35408 1/20 0.44
ACSS2 Q9NR19 1/20 0.43
AKR1B1 P15121 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
CNR2 P34972 1/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
JAK3 P52333 1/20 0.43
PTGS2 P35354 1/20 0.43
KDM4E B2RXH2 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL28004750 0.80 CA12 (0.43) CA1CA2CA12CA9CNR2
SCHEMBL28063011 0.80 PTGDR2 (0.42) CA1CA2CA12CA9PTGDR2
SCHEMBL9959692 0.79 PDE2A (0.53) CA1CA2CA12CA9RORC
SCHEMBL167098 0.78 MEN1 (0.57) CA1CA2CA12CA9JAK2
SCHEMBL20661079 0.78 AGPAT2 (0.51) JAK2JAK1TYK2JAK3LMNA
SCHEMBL167798 0.78 CA12 (0.44) CA1CA2CA12CA9JAK2
SCHEMBL14684613 0.77 RORC (0.39) CA1CA2CA12CA9RORC
SCHEMBL29431589 0.77 RORC (0.39) CA1CA2CA12CA9RORC
SCHEMBL18498926 0.77 AGPAT2 (0.41) CA1CA2CA12CA9RORC
SCHEMBL20660531 0.77 AGPAT2 (0.51) RORCJAK2JAK1TYK2JAK3

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-104394694-A Pest control composition for harmful arthropods, and pest control method for harmful arthropods SUMITOMO CHEMICAL CO 2015-03-04 CN disclosed