SCHEMBL24254540

SCHEMBL24254540

CNS(=O)(=O)c1ccc(OC(F)(F)F)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TNNI3K Q59H18 3/20 0.50
LMNA P02545 3/20 0.50
FFAR4 Q5NUL3 1/20 0.47
ALDH1A1 P00352 2/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
GAA P10253 2/20 0.44
S100A9 P06702 1/20 0.44
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
KIF11 P52732 1/20 0.42
HTT P42858 3/20 0.42
NPSR1 Q6W5P4 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
SCHEMBL9980545 0.83 TNNI3K (0.52) TNNI3KLMNAFFAR4ALDH1A1SMN1; SMN2
SCHEMBL10153812 0.80 TSHR (0.61) LMNAFFAR4ALDH1A1MAPTSMN1; SMN2
SCHEMBL12067872 0.80 VCAM1 (0.57) TNNI3KLMNAALDH1A1MAPTS100A9
SCHEMBL1813497 0.80 TNNI3K (0.47) TNNI3KS100A9TSHRMAPK1
SCHEMBL27878032 0.78 LMNA (0.50) LMNAALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL8521689 0.76 TNNI3K (0.53) TNNI3KFFAR4S100A9KIF11
SCHEMBL2371771 0.75 SMN1; SMN2 (0.63) LMNAFFAR4ALDH1A1SMN1; SMN2GAA
SCHEMBL22460999 0.75 LMNA (0.48) LMNAFFAR4ALDH1A1MAPTSMN1; SMN2
SCHEMBL10154281 0.74 LMNA (0.71) LMNAALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL4572470 0.74 SLC6A4 (0.51) TNNI3KLMNAFFAR4SMN1; SMN2S100A9

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
WO-2022035804-A1 SUBSTITUTED 3-AMINO-4-METHYLBENZENESULFONAMIDES AS SMALL MOLECULE INHIBITORS OF UBIQUITIN-SPECIFIC PROTEASE 28 DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-02-17 WO disclosed