SCHEMBL29916933

SCHEMBL29916933

COc1ccc(-c2nc(C(C)(C)C)ccc2C(=O)NS(=O)(=O)c2cccc(N)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 5/20 0.46
FLT4 P35916 5/20 0.46
KDR P35968 5/20 0.46
PLAU P00749 1/20 0.45
PRKAB2 O43741 1/20 0.41
PRKAG1 P54619 1/20 0.41
PRKAA2 P54646 1/20 0.41
PRKAA1 Q13131 1/20 0.41
PRKAG3 Q9UGI9 1/20 0.41
PRKAG2 Q9UGJ0 1/20 0.41
PRKAB1 Q9Y478 1/20 0.41
PPARG P37231 1/20 0.40
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP12 P39900 1/20 0.39
MMP13 P45452 1/20 0.39
MMP14 P50281 1/20 0.39

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
SCHEMBL17649787 1.00 FLT1 (0.46) FLT1FLT4KDRPLAUPRKAB2
SCHEMBL29915808 0.91 PTGS2 (0.49) FLT1FLT4KDRPTGS1PTGS2
SCHEMBL17647834 0.91 PTGS2 (0.49) FLT1FLT4KDRPTGS1PTGS2
SCHEMBL29916455 0.90 FLT1 (0.47) FLT1FLT4KDRPPARGPTGS1
SCHEMBL17647093 0.90 FLT1 (0.47) FLT1FLT4KDRPPARGPTGS1
SCHEMBL17648857 0.90 FLT1 (0.46) FLT1FLT4KDRPTGS1PTGS2
SCHEMBL29917227 0.90 FLT1 (0.46) FLT1FLT4KDRPTGS1PTGS2
SCHEMBL17647135 0.89 FLT1 (0.48) FLT1FLT4KDRPTGS1PTGS2
SCHEMBL29917687 0.89 FLT1 (0.48) FLT1FLT4KDRPTGS1PTGS2
SCHEMBL17647029 0.89 PTGS2 (0.47) 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