SCHEMBL29586404

SCHEMBL29586404

CS(=O)(=O)c1cc(C(N)=O)ccc1C(F)(F)F

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.41
HSD11B1 P28845 3/20 0.41
SLC9A1 P19634 2/20 0.40
SLC9A2 Q9UBY0 1/20 0.40
KIF11 P52732 3/20 0.39
NOTUM Q6P988 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL4639489 0.87 HSD11B1 (0.44) ARHSD11B1SLC9A1SLC9A2KIF11
SCHEMBL31401027 0.85 CDC25B (0.45) KIF11NOTUM
SCHEMBL7801034 0.84 SLC9A1 (0.61) SLC9A1SLC9A2
Hydrochloric Acid SCHEMBL8149118 0.83 SLC9A1 (0.60) SLC9A1SLC9A2
Hydrochloric Acid SCHEMBL7608239 0.82 DDR1 (0.38) SLC9A1SLC9A2NOTUMCYP2C9
SCHEMBL8147246 0.81 NOTUM (0.61) NOTUM
SCHEMBL31401527 0.81 NOTUM (0.61) NOTUM
SCHEMBL3283017 0.79 SLC9A1 (0.46) SLC9A1SLC9A2
SCHEMBL20084009 0.78 ACLY (0.50) ARSLC9A1SLC9A2
SCHEMBL31400646 0.78 ACLY (0.50) ARSLC9A1SLC9A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111601790-B Heteroaryl compounds as protein kinase inhibitors 福建海西新药创制股份有限公司 2023-03-31 CN claimed
CN-116715625-A Heteroaryl compounds as protein kinase inhibitors 福建海西新药创制股份有限公司 2023-09-08 CN disclosed
CN-111601790-B Heteroaryl compounds as protein kinase inhibitors 福建海西新药创制股份有限公司 2023-03-31 CN disclosed
WO-2022138821-A1 DISPERSIBLE CONCENTRATED AGROCHEMICAL FORMULATION 日産化学株式会社 2022-06-30 WO disclosed
WO-2022138633-A1 METHOD FOR CONTROLLING HERBICIDE-RESISTANT WEED 住友化学株式会社 2022-06-30 WO disclosed
WO-2022118813-A1 SOLID AGROCHEMICAL FORMULATION 住友化学株式会社 2022-06-09 WO disclosed
WO-2022118815-A1 SOLID AGRICHEMICAL PREPARATION 住友化学株式会社 2022-06-09 WO disclosed