SCHEMBL29773169

SCHEMBL29773169

NC(=O)c1ncccc1S(=O)(=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 3/20 0.46
CFTR P13569 4/20 0.44
NAMPT P43490 7/20 0.43
DHODH Q02127 1/20 0.42
CYP2C9 P11712 1/20 0.41
CCR9 P51686 1/20 0.41
PTGDR2 Q9Y5Y4 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
SCHEMBL28202739 1.00 TLR7 (0.46) TLR7CFTRNAMPTDHODHCYP2C9
SCHEMBL25296983 0.80 MEN1 (0.48) PTGDR2
SCHEMBL4014106 0.75 CYP2D6 (0.53) NAMPT
SCHEMBL4014111 0.75 CYP2D6 (0.53) NAMPT
SCHEMBL18279239 0.74 CFTR (0.67) TLR7CFTRNAMPTCYP2C9CCR9
SCHEMBL17675152 0.74 SYK (0.38) TLR7
SCHEMBL29773105 0.73 CFTR (0.52) CFTRNAMPTCYP2C9
SCHEMBL28203528 0.73 CFTR (0.52) CFTRNAMPTCYP2C9
SCHEMBL15142683 0.72 SMN1; SMN2 (0.45) TLR7CYP2C9
SCHEMBL3913503 0.72 HTR6 (0.47) NAMPT

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-4274828-A1 MODULATORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AND METHODS OF USE AbbVie Global Enterprises Ltd. (BM) 2023-11-15 EP disclosed
WO-2022150174-A1 MODULATORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AND METHODS OF USE AbbVie Global Enterprises Ltd. (BM) 2022-07-14 WO disclosed