SCHEMBL30807603

SCHEMBL30807603

O=S(=O)(N[C@@H](CNc1ccccc1)C1CCCCC1)c1cc(Br)c(F)cc1F

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 2/20 0.39
PGR P06401 1/20 0.38
NR3C2 P08235 1/20 0.38
EPHX1 P07099 1/20 0.37
MAPT P10636 4/20 0.36
TP53 P04637 4/20 0.36
LMNA P02545 3/20 0.36
GPR27 Q9NS67 2/20 0.35
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
USP30 Q70CQ3 1/20 0.34
ADRB3 P13945 1/20 0.33
SCN1A P35498 2/20 0.33
SCN8A Q9UQD0 2/20 0.33
SCN5A Q14524 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
TSHR P16473 1/20 0.32

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
SCHEMBL27145036 1.00 NR3C1 (0.39) NR3C1PGRNR3C2EPHX1MAPT
SCHEMBL27145035 1.00 NR3C1 (0.39) NR3C1PGRNR3C2EPHX1MAPT
SCHEMBL31092589 0.97 NR3C1 (0.40) NR3C1PGRNR3C2EPHX1MAPT
SCHEMBL30807690 0.88 NR3C1 (0.37) NR3C1PGRNR3C2MAPTTP53
SCHEMBL27154529 0.88 NR3C1 (0.37) NR3C1PGRNR3C2MAPTTP53
SCHEMBL27154530 0.88 NR3C1 (0.37) NR3C1PGRNR3C2MAPTTP53
SCHEMBL30807621 0.85 NR3C1 (0.38) NR3C1PGRNR3C2GPR27SCN1A
SCHEMBL31092623 0.85 NR3C1 (0.38) NR3C1PGRNR3C2GPR27SCN1A
SCHEMBL27146021 0.85 NR3C1 (0.38) NR3C1PGRNR3C2GPR27SCN1A
SCHEMBL27146019 0.85 NR3C1 (0.38) NR3C1PGRNR3C2GPR27SCN1A

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