SCHEMBL29916455

SCHEMBL29916455

CC(C)(C)c1ccc(-c2nc(C(C)(C)C)ccc2C(=O)NS(=O)(=O)c2cccc(N)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 5/20 0.47
FLT4 P35916 5/20 0.47
KDR P35968 5/20 0.47
PPARG P37231 1/20 0.41
PTGS1 P23219 2/20 0.40
PTGS2 P35354 2/20 0.40
NLRP3 Q96P20 1/20 0.39
CA2 P00918 3/20 0.39
CA1 P00915 2/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
KAT6A Q92794 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
FBP1 P09467 1/20 0.37
EGFR P00533 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL17647093 1.00 FLT1 (0.47) FLT1FLT4KDRPPARGPTGS1
SCHEMBL29917405 0.93 PPARG (0.43) FLT1FLT4KDRPPARGPTGS1
SCHEMBL17648202 0.93 PPARG (0.43) FLT1FLT4KDRPPARGPTGS1
SCHEMBL17647834 0.93 PTGS2 (0.49) FLT1FLT4KDRPTGS1PTGS2
SCHEMBL29915808 0.93 PTGS2 (0.49) FLT1FLT4KDRPTGS1PTGS2
SCHEMBL17648857 0.92 FLT1 (0.46) FLT1FLT4KDRPTGS1PTGS2
SCHEMBL29917227 0.92 FLT1 (0.46) FLT1FLT4KDRPTGS1PTGS2
SCHEMBL29917162 0.91 FLT1 (0.42) FLT1FLT4KDRPPARGPTGS1
SCHEMBL17646513 0.91 FLT1 (0.42) FLT1FLT4KDRPPARGPTGS1
SCHEMBL17647135 0.91 FLT1 (0.48) 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