SCHEMBL30580593

SCHEMBL30580593

NS(=O)(=O)c1cncc(-c2ccc(OC(F)(F)F)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.50
PTGS1 P23219 1/20 0.50
PRMT6 Q96LA8 1/20 0.49
ABL1 P00519 7/20 0.48
BCR P11274 2/20 0.48
SCN10A Q9Y5Y9 1/20 0.46
KIF11 P52732 1/20 0.44
PIP4K2A P48426 1/20 0.44
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
PIK3CD O00329 1/20 0.42
PIK3CG P48736 1/20 0.42
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
APLNR P35414 1/20 0.41
OPRM1 P35372 1/20 0.41
KCNH2 Q12809 1/20 0.41
CA1 P00915 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
SCHEMBL18118195 0.81 PTGS2 (0.68) PTGS2PTGS1ABL1BCRKIF11
SCHEMBL20187860 0.79 PTGS2 (0.51) PTGS2PTGS1CA12CA9PIK3CD
SCHEMBL1137645 0.76 PTGS2 (0.65) PTGS2PTGS1ABL1BCRKIF11
SCHEMBL31181562 0.75 APLNR (0.52) PTGS2CA12CA9PIK3CDPIK3CG
SCHEMBL31287698 0.75 CA2 (0.57) CA12CA9PIK3CDPIK3CGAPLNR
SCHEMBL28163875 0.75 CA2 (0.57) CA12CA9PIK3CDPIK3CGAPLNR
SCHEMBL9496011 0.74 PTGS2 (0.63) PTGS2PTGS1ABL1BCRKIF11
Ammonia Solution, Strong SCHEMBL29087279 0.74 PTGS2 (0.63) PTGS2PTGS1ABL1BCRKIF11
SCHEMBL30596352 0.74 PTGS2 (0.63) PTGS2PTGS1ABL1BCRKIF11
Hydrochloric Acid SCHEMBL29087408 0.74 PTGS2 (0.63) PTGS2PTGS1ABL1BCRKIF11

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
CN-118974034-A Pest control agent 日本化药株式会社 2024-11-15 CN disclosed
WO-2023190286-A1 PEST CONTROLLING AGENT 日本化薬株式会社 2023-10-05 WO disclosed