SCHEMBL28293637

SCHEMBL28293637

[N-]=[N+]=NS(=O)(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.46
PDE2A O00408 1/20 0.42
PTGS2 P35354 4/20 0.40
PTGS1 P23219 2/20 0.40
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA9 Q16790 2/20 0.38
CA12 O43570 1/20 0.38
MAPT P10636 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
MMP1 P03956 2/20 0.37
AKR1B1 P15121 1/20 0.37
CYP19A1 P11511 1/20 0.37
ALDH1A1 P00352 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 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
SCHEMBL15161692 0.95 KIF11 (0.54) KIF11PDE2APTGS2PTGS1MMP1
SCHEMBL10823807 0.84 CA1 (0.43) CA1CA2CA9MAPTALDH1A1
SCHEMBL28295418 0.81 ALDH1A1 (0.50) CA1CA2MAPTALDH1A1ACHE
SCHEMBL11594785 0.80 CA1 (0.51) CA1CA2CA9CA12MMP1
SCHEMBL580186 0.79 F2 (0.50) PTGS2PTGS1CA1CA2CA9
SCHEMBL5676376 0.78 CA2 (0.41) CA1CA2CA9CA12
SCHEMBL15159825 0.77 ALDH1A1 (0.46) KIF11CA1CA2MAPTALDH1A1
SCHEMBL31314421 0.77 PDE2A (0.46) KIF11PDE2APTGS2PTGS1HTR2A
SCHEMBL7622406 0.75 CYP1A2 (0.32) CA1CA2CA9MAPT
SCHEMBL3090434 0.75 F2 (0.52) CA1CA2CA9CA12MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116283678-A Preparation method of C-fluoroalkyl substituted amidine compound and application of C-fluoroalkyl substituted amidine compound in resisting fungal diseases 中国农业大学 2023-06-23 CN claimed
CN-111187184-B Novel method for synthesizing sulfonyl ketoamide 盐城工学院 2022-04-08 CN claimed
CN-111187184-A Novel method for synthesizing sulfonyl ketoamide 盐城工学院 2020-05-22 CN claimed
CN-119462384-A Pterostilbene derivatives and their use in preparing medicine for treating and/or preventing diseases caused by oxidative stress 常州大学 2025-02-18 CN disclosed
CN-116283678-A Preparation method of C-fluoroalkyl substituted amidine compound and application of C-fluoroalkyl substituted amidine compound in resisting fungal diseases 中国农业大学 2023-06-23 CN disclosed
CN-113549020-B Quinazoline derivatives, their preparation and use 苏州大学 2023-02-10 CN disclosed
CN-111187184-B Novel method for synthesizing sulfonyl ketoamide 盐城工学院 2022-04-08 CN disclosed
CN-112876488-B Spiro indoline derivative and preparation method and application thereof 苏州大学 2021-12-21 CN disclosed
CN-113549020-A Quinazoline derivatives, their preparation and use 苏州大学 2021-10-26 CN disclosed
CN-112876488-A Spiro indoline derivative and preparation method and application thereof 苏州大学 2021-06-01 CN disclosed
CN-111187184-A Novel method for synthesizing sulfonyl ketoamide 盐城工学院 2020-05-22 CN disclosed
CN-109776526-A Condensed cyclic triazole-(sulfonyl) Triazenes derivative and its preparation method and use 西南医科大学 2019-05-21 CN disclosed