SCHEMBL9531277

SCHEMBL9531277

Cn1nc(-c2cc(F)ccc2F)cc1S(C)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.44
KIF11 P52732 1/20 0.40
PTGS2 P35354 4/20 0.37
MAP4K4 O95819 1/20 0.37
SLC9A1 P19634 2/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
PTPN1 P18031 1/20 0.35
PTGS1 P23219 1/20 0.34
GRIN2B Q13224 1/20 0.34
CCR2 P41597 1/20 0.33
SCN9A Q15858 1/20 0.33
KIT P10721 1/20 0.33

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
SCHEMBL6906118 0.75 ALDH1A1 (0.42)
SCHEMBL9529749 0.75 GRM5 (0.33) TGFBR1GRIN2B
SCHEMBL9531665 0.73 KIF11 (0.39) TGFBR1KIF11PTGS2SLC9A1PTGS1
SCHEMBL2751962 0.68 TGFBR1 (0.33) TGFBR1KIF11PTPN1GRIN2B
SCHEMBL15814002 0.66 F2RL3 (0.42)
SCHEMBL3488246 0.66 KDM4E (0.43)
SCHEMBL2563135 0.65 ALDH1A1 (0.35) KIF11PTGS2
SCHEMBL2555113 0.65 CYP1A2 (0.37) KIF11SCN9A
SCHEMBL16986456 0.65 PTPN1 (0.33) TGFBR1PTPN1GRIN2B
SCHEMBL22659043 0.65 AGPAT2 (0.43)

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
EP-0542872-A1 HERBICIDAL SUBSTITUTED ARYL ALKYLSULFONYL PYRAZOLES MONSANTO COMPANY (US) 1993-05-26 EP disclosed
WO-1992002509-A1 HERBICIDAL SUBSTITUTED ARYL ALKYLSULFONYL PYRAZOLES MONSANTO COMPANY (US) 1992-02-20 WO disclosed