SCHEMBL29920682

SCHEMBL29920682

CC1(C)COc2cc(F)ccc2C1CS(N)(=O)=O

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.38
KCNE1 P15382 3/20 0.36
KCNQ1 P51787 3/20 0.36
LTB4R Q15722 1/20 0.35
LTB4R2 Q9NPC1 1/20 0.35
HTR1A P08908 2/20 0.35
HTR2B P41595 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
SLC6A2 P23975 1/20 0.35
HTR2C P28335 1/20 0.35
NR3C1 P04150 3/20 0.35
NR3C2 P08235 3/20 0.35
TRPV1 Q8NER1 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33

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
SCHEMBL29920290 1.00 CA2 (0.38) CA2KCNE1KCNQ1LTB4RLTB4R2
SCHEMBL29920403 0.73 LTB4R (0.44) CA2LTB4RLTB4R2NR3C1NR3C2
SCHEMBL29920554 0.73 LTB4R (0.44) CA2LTB4RLTB4R2NR3C1NR3C2
SCHEMBL29920312 0.72 TRPV1 (0.43) KCNE1KCNQ1TRPV1
SCHEMBL29920334 0.72 TRPV1 (0.43) KCNE1KCNQ1TRPV1
SCHEMBL25523284 0.71 HTR2B (0.39) HTR1AHTR2BSIGMAR1SLC6A2HTR2C
SCHEMBL25859350 0.69 HTR2A (0.40) HTR2BSLC6A2HTR2C
SCHEMBL29920502 0.67 CA2 (0.43) CA2KCNE1KCNQ1LTB4RLTB4R2
SCHEMBL29920313 0.67 PSEN1 (0.35) CA2KCNE1KCNQ1LTB4RLTB4R2
SCHEMBL29920566 0.67 CA2 (0.43) CA2KCNE1KCNQ1LTB4RLTB4R2

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-2022217248-A1 SUBSTITUTED SULFONAMIDE-CHROMAN COMPOUNDS, AND PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2022-10-13 WO disclosed