SCHEMBL29916780

SCHEMBL29916780

COc1cccc(S(=O)(=O)NC(=O)c2ccc(C(C)(C)C)nc2-c2ccc(C)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 5/20 0.54
FLT4 P35916 5/20 0.54
KDR P35968 5/20 0.54
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
MAPT P10636 2/20 0.44
EGFR P00533 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
KAT6A Q92794 1/20 0.42
POLB P06746 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
LGALS8 O00214 1/20 0.41
LGALS3 P17931 1/20 0.41
MEP1B Q16820 1/20 0.41
MALT1 Q9UDY8 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
FBP1 P09467 1/20 0.41

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
SCHEMBL17649941 1.00 FLT1 (0.54) FLT1FLT4KDRPTGS1PTGS2
SCHEMBL17648419 0.89 FLT1 (0.51) FLT1FLT4KDRPTGS1PTGS2
SCHEMBL29917470 0.89 FLT1 (0.51) FLT1FLT4KDRPTGS1PTGS2
SCHEMBL17647834 0.88 PTGS2 (0.49) FLT1FLT4KDRPTGS1PTGS2
SCHEMBL29915808 0.88 PTGS2 (0.49) FLT1FLT4KDRPTGS1PTGS2
SCHEMBL29916933 0.87 FLT1 (0.46) FLT1FLT4KDRPTGS1PTGS2
SCHEMBL17649787 0.87 FLT1 (0.46) FLT1FLT4KDRPTGS1PTGS2
SCHEMBL29915847 0.87 PTGS2 (0.50) FLT1FLT4KDRPTGS1PTGS2
SCHEMBL17647695 0.87 PTGS2 (0.50) FLT1FLT4KDRPTGS1PTGS2
SCHEMBL17647991 0.85 PTGS2 (0.55) FLT1FLT4KDRPTGS1PTGS2

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