SCHEMBL4784110

SCHEMBL4784110

CC(C)c1ccc(S(=O)(=O)NC2Cc3ccc(C#N)cc3C2)c(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.43
GRIA2 P42262 3/20 0.41
NR1H2 P55055 4/20 0.41
CNR2 P34972 2/20 0.39
SFRP1 Q8N474 1/20 0.39
SLC22A12 Q96S37 4/20 0.38
IDH1 O75874 1/20 0.36
PNMT P11086 1/20 0.36
APOB P04114 1/20 0.36
MTTP P55157 1/20 0.36

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
SCHEMBL4783415 0.85 NR1H2 (0.41) GRIA2NR1H2CNR2
SCHEMBL4783419 0.85 NR1H2 (0.43) GRIA2NR1H2
SCHEMBL4784502 0.85 TRPV4 (0.45) TRPV4GRIA2NR1H2CNR2SFRP1
SCHEMBL4785061 0.82 NR1H2 (0.37) GRIA2NR1H2CNR2SFRP1
SCHEMBL4733733 0.79 SFRP1 (0.54) CNR2SFRP1
SCHEMBL4781822 0.78 NR1H2 (0.42) GRIA2NR1H2SFRP1IDH1
SCHEMBL4782721 0.78 NR1H2 (0.41) GRIA2NR1H2CNR2SFRP1
SCHEMBL4731294 0.75 SFRP1 (0.55) TRPV4CNR2SFRP1SLC22A12
SCHEMBL4794680 0.72 NR1H2 (0.46) GRIA2NR1H2CNR2SFRP1PNMT
SCHEMBL4733149 0.72 SFRP1 (0.48) SFRP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008061006-A1 SUBSTITUTED INDAN-2-YL, TETRAHYDRONAPHTHALEN-2-YL, OR DIHYDR0-2H-CHR0MEN-3-YL ARYLSULFONAMIDES AND METHODS OF THEIR USE WYETH (US) 2008-05-22 WO claimed
WO-2008061006-A1 SUBSTITUTED INDAN-2-YL, TETRAHYDRONAPHTHALEN-2-YL, OR DIHYDR0-2H-CHR0MEN-3-YL ARYLSULFONAMIDES AND METHODS OF THEIR USE WYETH (US) 2008-05-22 WO disclosed