SCHEMBL29917825

SCHEMBL29917825

Cc1cc(-c2nc(C(C)(C)C)ccc2C(=O)NS(=O)(=O)c2cccc(N)c2)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 1/20 0.41
POLB P06746 1/20 0.40
FLT1 P17948 10/20 0.39
FLT4 P35916 10/20 0.39
KDR P35968 10/20 0.39
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
EGFR P00533 3/20 0.36
HPGD P15428 1/20 0.36
NPY5R Q15761 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
SCHEMBL17648386 1.00 KAT6A (0.41) KAT6APOLBFLT1FLT4KDR
SCHEMBL17648164 0.93 KAT6A (0.41) KAT6APOLBFLT1FLT4KDR
SCHEMBL29917852 0.93 KAT6A (0.41) KAT6APOLBFLT1FLT4KDR
SCHEMBL29917272 0.93 KAT6A (0.43) KAT6APOLBFLT1FLT4KDR
SCHEMBL17647886 0.93 KAT6A (0.43) KAT6APOLBFLT1FLT4KDR
SCHEMBL17647852 0.92 FLT1 (0.40) KAT6APOLBFLT1FLT4KDR
SCHEMBL29917049 0.92 FLT1 (0.40) KAT6APOLBFLT1FLT4KDR
SCHEMBL17647029 0.89 PTGS2 (0.47) KAT6APOLBFLT1FLT4KDR
SCHEMBL29916769 0.89 PTGS2 (0.47) KAT6APOLBFLT1FLT4KDR
SCHEMBL29915808 0.88 PTGS2 (0.49) KAT6APOLBFLT1FLT4KDR

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