SCHEMBL28004750

SCHEMBL28004750

CC[S+]([O-])c1ccc(-c2nc3cc(C(F)(F)F)ccc3n2C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40
KDM4E B2RXH2 5/20 0.39
TDP1 Q9NUW8 2/20 0.39
AGPAT2 O15120 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KIT P10721 1/20 0.37
CNR2 P34972 2/20 0.37
HTR2B P41595 1/20 0.36
HTR6 P50406 1/20 0.36
CNR1 P21554 1/20 0.36
GRM2 Q14416 1/20 0.36
HDAC1 Q13547 1/20 0.36

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
SCHEMBL28004752 0.80 CA1 (0.55) CA12CA1CA2CA9JAK2
SCHEMBL9959554 0.80 PDE2A (0.42) KDM4EAGPAT2KITCNR2HTR2B
SCHEMBL28063011 0.79 PTGDR2 (0.42) CA12CA1CA2CA9JAK2
SCHEMBL14678192 0.78 AGPAT2 (0.36) JAK2JAK1TYK2JAK3KDM4E
SCHEMBL167098 0.77 MEN1 (0.57) CA12CA1CA2CA9JAK2
SCHEMBL23507303 0.77 BACE1 (0.37) CA12CA1CA2CA9JAK2
SCHEMBL167348 0.77 PDE10A (0.40) KDM4EAGPAT2KITCNR2HTR2B
SCHEMBL29431625 0.77 HTR2B (0.38) CA12CA9KDM4EAGPAT2KIT
SCHEMBL14684635 0.77 HTR2B (0.38) CA12CA9KDM4EAGPAT2KIT
SCHEMBL167798 0.77 CA12 (0.44) CA12CA1CA2CA9JAK2

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