SCHEMBL4733090

SCHEMBL4733090

O=S(=O)(NC1COc2ccccc2C1)c1ccc(Br)cc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SFRP1 Q8N474 2/20 0.39
WNT3 P56703 1/20 0.39
PFKFB3 Q16875 1/20 0.38
NR1H2 P55055 1/20 0.38
ACLY P53396 1/20 0.36
P2RX7 Q99572 1/20 0.36
ADRA2A P08913 1/20 0.36
NPY5R Q15761 1/20 0.36
MCHR1 Q99705 1/20 0.36
PPARG P37231 1/20 0.36
SLC22A12 Q96S37 1/20 0.35
CNR2 P34972 2/20 0.35
CNR1 P21554 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
TP53 P04637 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
SCHEMBL4732292 1.00 SFRP1 (0.39) SFRP1WNT3PFKFB3NR1H2ACLY
SCHEMBL4733218 1.00 SFRP1 (0.39) SFRP1WNT3PFKFB3NR1H2ACLY
SCHEMBL4784546 0.87 NR1H2 (0.46) SFRP1WNT3PFKFB3NR1H2ADRA2A
SCHEMBL4731532 0.86 NR1H2 (0.43) SFRP1WNT3NR1H2SLC22A12TP53
SCHEMBL4783662 0.82 CA1 (0.49) SFRP1WNT3PFKFB3NR1H2ADRA2A
SCHEMBL4783169 0.82 CA1 (0.49) SFRP1WNT3PFKFB3NR1H2ADRA2A
SCHEMBL4783899 0.82 CA1 (0.49) SFRP1WNT3PFKFB3NR1H2ADRA2A
SCHEMBL4794680 0.80 NR1H2 (0.46) SFRP1WNT3PFKFB3NR1H2ADRA2A
SCHEMBL2372639 0.78 CNR2 (0.48) SFRP1WNT3PFKFB3ADRA2ANPY5R
SCHEMBL4782680 0.76 NR1H2 (0.39) SFRP1WNT3PFKFB3NR1H2ADRA2A

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