SCHEMBL29917036

SCHEMBL29917036

Cc1cc(C)c(Oc2nc(C)c(C)cc2C(=O)NS(=O)(=O)c2cccc(N)n2)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 9/20 0.35
FLT1 P17948 4/20 0.35
FLT4 P35916 4/20 0.35
KDR P35968 4/20 0.35
SCN5A Q14524 3/20 0.34
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
EGFR P00533 3/20 0.33
SCN10A Q9Y5Y9 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGAV P06756 1/20 0.32
ITGA2B P08514 1/20 0.32

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
SCHEMBL17648509 1.00 SCN9A (0.35) SCN9AFLT1FLT4KDRSCN5A
SCHEMBL29917851 0.89 EGFR (0.41) SCN9AFLT1FLT4KDRSCN5A
SCHEMBL17647009 0.89 EGFR (0.41) SCN9AFLT1FLT4KDRSCN5A
SCHEMBL17650193 0.88 PIK3CD (0.35) SCN9AFLT1FLT4KDRSCN5A
SCHEMBL29916563 0.88 FLT1 (0.35) SCN9AFLT1FLT4KDRSCN5A
SCHEMBL17646724 0.88 PPARG (0.36)
SCHEMBL19097554 0.88 FLT1 (0.35) SCN9AFLT1FLT4KDRSCN5A
SCHEMBL17647181 0.88 FLT1 (0.39) SCN9AFLT1FLT4KDRSCN5A
SCHEMBL29916542 0.88 FLT1 (0.41) SCN9AFLT1FLT4KDRPTGS1
SCHEMBL17649890 0.88 FLT1 (0.41) SCN9AFLT1FLT4KDRPTGS1

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