SCHEMBL29915847

SCHEMBL29915847

Cc1ccc(-c2nc(C(C)(C)C)ccc2C(=O)NS(=O)(=O)c2cccc(O)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.50
PTGS1 P23219 2/20 0.50
EGFR P00533 4/20 0.46
FLT1 P17948 6/20 0.44
FLT4 P35916 6/20 0.44
KDR P35968 6/20 0.44
POLB P06746 2/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
KAT7 O95251 1/20 0.39
KAT6A Q92794 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
SCHEMBL17647695 1.00 PTGS2 (0.50) PTGS2PTGS1EGFRFLT1FLT4
SCHEMBL17647834 0.88 PTGS2 (0.49) PTGS2PTGS1EGFRFLT1FLT4
SCHEMBL29915808 0.88 PTGS2 (0.49) PTGS2PTGS1EGFRFLT1FLT4
SCHEMBL29915876 0.88 EGFR (0.53) PTGS2PTGS1EGFRFLT1FLT4
SCHEMBL17647991 0.88 PTGS2 (0.55) PTGS2PTGS1EGFRFLT1FLT4
SCHEMBL17649302 0.88 EGFR (0.53) PTGS2PTGS1EGFRFLT1FLT4
SCHEMBL29917075 0.88 PTGS2 (0.48) PTGS2PTGS1EGFRFLT1FLT4
SCHEMBL17649366 0.88 PTGS2 (0.48) PTGS2PTGS1EGFRFLT1FLT4
SCHEMBL29916780 0.87 FLT1 (0.54) PTGS2PTGS1EGFRFLT1FLT4
SCHEMBL17649941 0.87 FLT1 (0.54) PTGS2PTGS1EGFRFLT1FLT4

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