SCHEMBL29915842

SCHEMBL29915842

Cc1cccc(-c2nc(C(C)(C)C)ccc2C(=O)NS(=O)(=O)c2cccc(N)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 7/20 0.47
FLT4 P35916 7/20 0.47
KDR P35968 7/20 0.47
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
EGFR P00533 3/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
ALKBH2 Q6NS38 1/20 0.40
ALKBH3 Q96Q83 1/20 0.40
FTO Q9C0B1 1/20 0.40
MCL1 Q07820 1/20 0.39
POLB P06746 1/20 0.38
NPY5R Q15761 1/20 0.38
FBP1 P09467 2/20 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
SCHEMBL17648529 1.00 FLT1 (0.47) FLT1FLT4KDRPTGS1PTGS2
SCHEMBL17649277 0.94 PTGS2 (0.44) FLT1FLT4KDRPTGS1PTGS2
SCHEMBL29917467 0.94 PTGS2 (0.44) FLT1FLT4KDRPTGS1PTGS2
SCHEMBL29915808 0.92 PTGS2 (0.49) FLT1FLT4KDRPTGS1PTGS2
SCHEMBL17647834 0.92 PTGS2 (0.49) FLT1FLT4KDRPTGS1PTGS2
SCHEMBL29917227 0.91 FLT1 (0.46) FLT1FLT4KDRPTGS1PTGS2
SCHEMBL17648857 0.91 FLT1 (0.46) FLT1FLT4KDRPTGS1PTGS2
SCHEMBL29917162 0.90 FLT1 (0.42) FLT1FLT4KDRPTGS1PTGS2
SCHEMBL17646513 0.90 FLT1 (0.42) FLT1FLT4KDRPTGS1PTGS2
SCHEMBL29917049 0.89 FLT1 (0.40) 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