SCHEMBL29916677

SCHEMBL29916677

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
FLT1 P17948 7/20 0.39
FLT4 P35916 7/20 0.39
KDR P35968 7/20 0.39
KAT6A Q92794 1/20 0.39
PTGS1 P23219 2/20 0.39
PTGS2 P35354 2/20 0.39
EGFR P00533 3/20 0.39
HPGDS O60760 1/20 0.36
NPY5R Q15761 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TRPV1 Q8NER1 1/20 0.35

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
SCHEMBL17648865 1.00 POLB (0.40) POLBFLT1FLT4KDRKAT6A
SCHEMBL29917467 0.94 PTGS2 (0.44) POLBFLT1FLT4KDRKAT6A
SCHEMBL17649277 0.94 PTGS2 (0.44) POLBFLT1FLT4KDRKAT6A
SCHEMBL17647029 0.89 PTGS2 (0.47) POLBFLT1FLT4KDRKAT6A
SCHEMBL29915842 0.89 FLT1 (0.47) POLBFLT1FLT4KDRPTGS1
SCHEMBL29916769 0.89 PTGS2 (0.47) POLBFLT1FLT4KDRKAT6A
SCHEMBL17648529 0.89 FLT1 (0.47) POLBFLT1FLT4KDRPTGS1
SCHEMBL29915808 0.88 PTGS2 (0.49) POLBFLT1FLT4KDRKAT6A
SCHEMBL17647834 0.88 PTGS2 (0.49) POLBFLT1FLT4KDRKAT6A
SCHEMBL17648164 0.87 KAT6A (0.41) POLBFLT1FLT4KDRKAT6A

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