SCHEMBL29917467

SCHEMBL29917467

Cc1cc(C)cc(-c2nc(C(C)(C)C)ccc2C(=O)NS(=O)(=O)c2cccc(N)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.44
PTGS1 P23219 1/20 0.44
FLT1 P17948 7/20 0.43
FLT4 P35916 7/20 0.43
KDR P35968 7/20 0.43
EGFR P00533 3/20 0.42
POLB P06746 1/20 0.40
NPY5R Q15761 1/20 0.39
KAT6A Q92794 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
FBP1 P09467 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL17649277 1.00 PTGS2 (0.44) PTGS2PTGS1FLT1FLT4KDR
SCHEMBL17648865 0.94 POLB (0.40) PTGS2PTGS1FLT1FLT4KDR
SCHEMBL29916677 0.94 POLB (0.40) PTGS2PTGS1FLT1FLT4KDR
SCHEMBL17648529 0.94 FLT1 (0.47) PTGS2PTGS1FLT1FLT4KDR
SCHEMBL29915842 0.94 FLT1 (0.47) PTGS2PTGS1FLT1FLT4KDR
SCHEMBL29915808 0.94 PTGS2 (0.49) PTGS2PTGS1FLT1FLT4KDR
SCHEMBL17647834 0.94 PTGS2 (0.49) PTGS2PTGS1FLT1FLT4KDR
SCHEMBL29917227 0.91 FLT1 (0.46) PTGS2PTGS1FLT1FLT4KDR
SCHEMBL17648857 0.91 FLT1 (0.46) PTGS2PTGS1FLT1FLT4KDR
SCHEMBL17649098 0.90 FLT1 (0.44) PTGS2PTGS1FLT1FLT4KDR

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