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Sugi Predict / Compounds / SCHEMBL29917630

SCHEMBL29917630

SCHEMBL29917630

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

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FLT1 P17948 4/20 0.34
▸ FLT4 P35916 4/20 0.34
▸ KDR P35968 4/20 0.34
▸ SCN9A Q15858 6/20 0.33
▸ KIF18A Q8NI77 4/20 0.32
▸ EGFR P00533 3/20 0.32
▸ SCN5A Q14524 1/20 0.32
▸ PTGS1 P23219 1/20 0.30
▸ PTGS2 P35354 1/20 0.30

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
SCHEMBL17646611 1.00 FLT1 (0.34) FLT1FLT4KDRSCN9AKIF18A
SCHEMBL19097554 0.91 FLT1 (0.35) FLT1FLT4KDRSCN9AEGFR
SCHEMBL29916563 0.91 FLT1 (0.35) FLT1FLT4KDRSCN9AEGFR
SCHEMBL29917097 0.88 FLT1 (0.34) FLT1FLT4KDRSCN9AEGFR
SCHEMBL29917098 0.88 FLT1 (0.34) FLT1FLT4KDRSCN9AEGFR
SCHEMBL17646919 0.88 FLT1 (0.34) FLT1FLT4KDRSCN9AEGFR
SCHEMBL17647272 0.88 FLT1 (0.34) FLT1FLT4KDRSCN9AEGFR
SCHEMBL17649890 0.88 FLT1 (0.41) FLT1FLT4KDRSCN9AEGFR
SCHEMBL29916542 0.88 FLT1 (0.41) FLT1FLT4KDRSCN9AEGFR
SCHEMBL17647009 0.88 EGFR (0.41) 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