SCHEMBL29916563

SCHEMBL29916563

CNc1ccc(C(=O)NS(=O)(=O)c2cccc(N)n2)c(Oc2c(C)cc(C)cc2C)n1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 6/20 0.35
FLT4 P35916 6/20 0.35
KDR P35968 6/20 0.35
SCN9A Q15858 6/20 0.34
EGFR P00533 4/20 0.33
SCN5A Q14524 1/20 0.33
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
F10 P00742 1/20 0.31
ITGB3 P05106 2/20 0.31
ITGB1 P05556 2/20 0.31
ITGAV P06756 2/20 0.31
ITGA5 P08648 2/20 0.31

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
SCHEMBL19097554 1.00 FLT1 (0.35) FLT1FLT4KDRSCN9AEGFR
SCHEMBL29917630 0.91 FLT1 (0.34) FLT1FLT4KDRSCN9AEGFR
SCHEMBL17646611 0.91 FLT1 (0.34) FLT1FLT4KDRSCN9AEGFR
SCHEMBL29917098 0.90 FLT1 (0.34) FLT1FLT4KDRSCN9AEGFR
SCHEMBL29917097 0.90 FLT1 (0.34) FLT1FLT4KDRSCN9AEGFR
SCHEMBL17646919 0.90 FLT1 (0.34) FLT1FLT4KDRSCN9AEGFR
SCHEMBL17647272 0.90 FLT1 (0.34) FLT1FLT4KDRSCN9AEGFR
SCHEMBL17647009 0.89 EGFR (0.41) FLT1FLT4KDRSCN9AEGFR
SCHEMBL29917851 0.89 EGFR (0.41) FLT1FLT4KDRSCN9AEGFR
SCHEMBL17647181 0.89 FLT1 (0.39) FLT1FLT4KDRSCN9AEGFR

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-3798214-B1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2022-09-14 EP claimed