SCHEMBL29916769

SCHEMBL29916769

CC(C)(C)c1ccc(C(=O)NS(=O)(=O)c2cccc(N)c2)c(-c2ccc(F)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.47
PTGS1 P23219 4/20 0.47
KAT6A Q92794 1/20 0.42
FLT1 P17948 5/20 0.42
FLT4 P35916 5/20 0.42
KDR P35968 5/20 0.42
EGFR P00533 1/20 0.40
KIF18A Q8NI77 1/20 0.39
POLB P06746 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SCN9A Q15858 1/20 0.38
CHEK1 O14757 1/20 0.38
NTRK1 P04629 1/20 0.38
MET P08581 1/20 0.38
PIM1 P11309 1/20 0.38
LTK P29376 1/20 0.38
GRK5 P34947 1/20 0.38
MAP2K2 P36507 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
SCHEMBL17647029 1.00 PTGS2 (0.47) PTGS2PTGS1KAT6AFLT1FLT4
SCHEMBL17647834 0.92 PTGS2 (0.49) PTGS2PTGS1KAT6AFLT1FLT4
SCHEMBL29915808 0.92 PTGS2 (0.49) PTGS2PTGS1KAT6AFLT1FLT4
SCHEMBL29916455 0.91 FLT1 (0.47) PTGS2PTGS1KAT6AFLT1FLT4
SCHEMBL17647093 0.91 FLT1 (0.47) PTGS2PTGS1KAT6AFLT1FLT4
SCHEMBL29917227 0.91 FLT1 (0.46) PTGS2PTGS1KAT6AFLT1FLT4
SCHEMBL17648857 0.91 FLT1 (0.46) PTGS2PTGS1KAT6AFLT1FLT4
SCHEMBL17647886 0.90 KAT6A (0.43) PTGS2PTGS1KAT6AFLT1FLT4
SCHEMBL29917405 0.90 PPARG (0.43) PTGS2PTGS1KAT6AFLT1FLT4
SCHEMBL17648202 0.90 PPARG (0.43) PTGS2PTGS1KAT6AFLT1FLT4

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