SCHEMBL9710189

SCHEMBL9710189

CC(C)(C)NS(=O)(=O)c1nc(C(F)(F)F)ccc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 3/20 0.43
TAS2R14 Q9NYV8 2/20 0.40
CYP2C9 P11712 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP1A2 P05177 1/20 0.38
MAPK1 P28482 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38

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
SCHEMBL8540548 0.86 TUBB4A (0.50) CYP2C9ALDH1A1MAPTCYP3A4MAPK1
SCHEMBL10516642 0.84 KIF18A (0.43) ACLYCYP2C9ALDH1A1MAPTCYP2D6
SCHEMBL1498329 0.82 LMNA (0.41) ACLYTAS2R14ALDH1A1MAPK1TUBB4A
SCHEMBL10515871 0.81 L3MBTL1 (0.44) ACLYCYP2C9ALDH1A1MAPTCYP2C19
SCHEMBL4539678 0.78 FEN1 (0.45) ACLYTAS2R14MAPTTUBB4ATUBB
SCHEMBL15635192 0.75 TAS2R14 (0.43) ACLYTAS2R14TUBB4ATUBBTUBA3C
SCHEMBL3035134 0.74 FEN1 (0.42) ACLYTAS2R14KDM1A
SCHEMBL10516708 0.74 KDM4E (0.46) ALDH1A1MAPTCYP3A4SMN1; SMN2LMNA
Flupyrsulfuron SCHEMBL115535 0.73 GAA (0.61) ACLYMAPTCYP1A2MAPK1TUBB4A
SCHEMBL6218067 0.72 ACLY (0.44) ACLYTAS2R14KDM1ALMNANPC1

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
EP-0502740-A1 Herbicidal pyridine sulfonamide E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-09-09 EP disclosed