SCHEMBL30807679

SCHEMBL30807679

CC(C)C[C@@H](NS(=O)(=O)c1cc(Br)c(F)cc1F)C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.48
FEN1 P39748 1/20 0.48
CYP2C19 P33261 2/20 0.43
ALDH1A1 P00352 1/20 0.43
KDM4E B2RXH2 2/20 0.40
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP7 P09237 1/20 0.40
MMP9 P14780 1/20 0.40
MMP13 P45452 1/20 0.40
NR3C1 P04150 1/20 0.40
CYP3A4 P08684 1/20 0.39
CNR2 P34972 3/20 0.37
PLAU P00749 1/20 0.35
HPN P05981 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
SCHEMBL27139452 1.00 ALOX5AP (0.48) ALOX5APFEN1CYP2C19ALDH1A1KDM4E
SCHEMBL27139455 1.00 ALOX5AP (0.48) ALOX5APFEN1CYP2C19ALDH1A1KDM4E
SCHEMBL27148826 0.89 ALDH1A1 (0.55) ALOX5APFEN1CYP2C19ALDH1A1KDM4E
SCHEMBL30807823 0.83 AAK1 (0.42) ALOX5APFEN1CYP2C19ALDH1A1KDM4E
SCHEMBL15917052 0.78 POLB (0.55) ALOX5APFEN1CYP2C19ALDH1A1KDM4E
SCHEMBL3023376 0.70 NR3C1 (0.51) ALDH1A1KDM4ESLC1A3SLC1A2SLC1A1
SCHEMBL16886882 0.70 CA1 (0.39) ALOX5APFEN1CYP2C19ALDH1A1KDM4E
SCHEMBL3247810 0.70 CA1 (0.39) ALOX5APFEN1CYP2C19ALDH1A1KDM4E
SCHEMBL16886883 0.70 CA1 (0.39) ALOX5APFEN1CYP2C19ALDH1A1KDM4E
SCHEMBL3196118 0.69 NR3C1 (0.47) ALOX5APFEN1SLC1A3SLC1A2SLC1A1

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
WO-2024044183-A1 FUSED HETEROBICYCLIC ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. (US) 2024-02-29 WO disclosed