SCHEMBL29917049

SCHEMBL29917049

Cc1ccc(-c2nc(C(C)(C)C)ccc2C(=O)NS(=O)(=O)c2cccc(N)c2)cc1C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 9/20 0.40
FLT4 P35916 9/20 0.40
KDR P35968 9/20 0.40
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
EGFR P00533 3/20 0.38
NPY5R Q15761 1/20 0.38
KAT6A Q92794 1/20 0.37
FBP1 P09467 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL17647852 1.00 FLT1 (0.40) FLT1FLT4KDRPTGS1PTGS2
SCHEMBL29917825 0.92 KAT6A (0.41) FLT1FLT4KDRPTGS1PTGS2
SCHEMBL17648386 0.92 KAT6A (0.41) FLT1FLT4KDRPTGS1PTGS2
SCHEMBL29917852 0.92 KAT6A (0.41) FLT1FLT4KDRPTGS1PTGS2
SCHEMBL17648164 0.92 KAT6A (0.41) FLT1FLT4KDRPTGS1PTGS2
SCHEMBL29915808 0.91 PTGS2 (0.49) FLT1FLT4KDRPTGS1PTGS2
SCHEMBL17647834 0.91 PTGS2 (0.49) FLT1FLT4KDRPTGS1PTGS2
SCHEMBL17648529 0.89 FLT1 (0.47) FLT1FLT4KDRPTGS1PTGS2
SCHEMBL29915842 0.89 FLT1 (0.47) FLT1FLT4KDRPTGS1PTGS2
SCHEMBL17649277 0.89 PTGS2 (0.44) 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