SCHEMBL29917851

SCHEMBL29917851

Cc1cc(C)c(Oc2nc(C)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.41
FLT1 P17948 4/20 0.37
FLT4 P35916 4/20 0.37
KDR P35968 4/20 0.37
SCN9A Q15858 6/20 0.35
SCN5A Q14524 1/20 0.34
ACLY P53396 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
CRHR1 P34998 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
SCHEMBL17647009 1.00 EGFR (0.41) EGFRFLT1FLT4KDRSCN9A
SCHEMBL17648558 0.92 EGFR (0.36) EGFRFLT1FLT4KDRSCN9A
SCHEMBL29916753 0.92 EGFR (0.36) EGFRFLT1FLT4KDRSCN9A
SCHEMBL17647181 0.91 FLT1 (0.39) EGFRFLT1FLT4KDRSCN9A
SCHEMBL17647916 0.89 RAB9A (0.39) FLT1FLT4KDRSCN9ASCN5A
SCHEMBL29917313 0.89 RAB9A (0.39) FLT1FLT4KDRSCN9ASCN5A
SCHEMBL29916838 0.89 SCN9A (0.36) EGFRFLT1FLT4KDRSCN9A
SCHEMBL17648466 0.89 SCN9A (0.36) EGFRFLT1FLT4KDRSCN9A
SCHEMBL29916563 0.89 FLT1 (0.35) EGFRFLT1FLT4KDRSCN9A
SCHEMBL19097554 0.89 FLT1 (0.35) EGFRFLT1FLT4KDRSCN9A

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