SCHEMBL29917162

SCHEMBL29917162

CC(C)(C)c1cccc(-c2nc(C(C)(C)C)ccc2C(=O)NS(=O)(=O)c2cccc(N)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 9/20 0.42
FLT4 P35916 9/20 0.42
KDR P35968 9/20 0.42
PPARG P37231 2/20 0.38
KAT6A Q92794 1/20 0.38
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
FBP1 P09467 1/20 0.37
EGFR P00533 2/20 0.36
CA2 P00918 1/20 0.36
F2 P00734 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36

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
SCHEMBL17646513 1.00 FLT1 (0.42) FLT1FLT4KDRPPARGKAT6A
SCHEMBL29916455 0.91 FLT1 (0.47) FLT1FLT4KDRPPARGKAT6A
SCHEMBL17647093 0.91 FLT1 (0.47) FLT1FLT4KDRPPARGKAT6A
SCHEMBL29917227 0.91 FLT1 (0.46) FLT1FLT4KDRKAT6APTGS1
SCHEMBL17648857 0.91 FLT1 (0.46) FLT1FLT4KDRKAT6APTGS1
SCHEMBL29915842 0.90 FLT1 (0.47) FLT1FLT4KDRPTGS1PTGS2
SCHEMBL17648529 0.90 FLT1 (0.47) FLT1FLT4KDRPTGS1PTGS2
SCHEMBL29917467 0.88 PTGS2 (0.44) FLT1FLT4KDRKAT6APTGS1
SCHEMBL29915808 0.88 PTGS2 (0.49) FLT1FLT4KDRKAT6APTGS1
SCHEMBL17649277 0.88 PTGS2 (0.44) FLT1FLT4KDRKAT6APTGS1

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