SCHEMBL4784035

SCHEMBL4784035

O=S(=O)(NC1Cc2c[c]ccc2C1)c1ccccc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.46
SLC22A12 Q96S37 15/20 0.44
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP2C9 P11712 2/20 0.40
SLC22A6 Q4U2R8 2/20 0.40
SLC22A8 Q8TCC7 2/20 0.40
SLC22A11 Q9NSA0 2/20 0.40
WNT3 P56703 1/20 0.39
SFRP1 Q8N474 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL4784882 0.87 NR1H2 (0.53) NR1H2SLC22A12MEN1ALDH1A1KMT2A
SCHEMBL4783358 0.84 PFKFB3 (0.38) NR1H2SLC22A12WNT3SFRP1
SCHEMBL4785061 0.81 NR1H2 (0.37) NR1H2WNT3SFRP1
SCHEMBL4784540 0.80 NR1H2 (0.47) NR1H2SLC22A12MEN1ALDH1A1KMT2A
SCHEMBL4785610 0.79 NR1H2 (0.54) NR1H2SLC22A12MEN1KMT2ACYP2C9
SCHEMBL4732746 0.79 CA1 (0.56) NR1H2SLC22A12MEN1ALDH1A1KMT2A
SCHEMBL4782504 0.78 NR1H2 (0.55) NR1H2SLC22A12CYP2C9SLC22A6SLC22A8
SCHEMBL4783738 0.78 NR1H2 (0.55) NR1H2SLC22A12MEN1ALDH1A1KMT2A
SCHEMBL4733742 0.75 NR1H2 (0.55) NR1H2MEN1ALDH1A1KMT2AWNT3
SCHEMBL4784211 0.75 NR1H2 (0.48) NR1H2SLC22A12MEN1KMT2ACYP2C9

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-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