SCHEMBL4783899

SCHEMBL4783899

O=S(=O)(N[C@H]1CCc2ccccc2C1)c1ccc(Br)cc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
PNMT P11086 1/20 0.44
HDAC8 Q9BY41 6/20 0.44
NR1H2 P55055 1/20 0.41
SFRP1 Q8N474 2/20 0.40
WNT3 P56703 1/20 0.40
HDAC6 Q9UBN7 2/20 0.39
ADRA2A P08913 1/20 0.39
NPY5R Q15761 1/20 0.39
MCHR1 Q99705 1/20 0.39
PFKFB3 Q16875 1/20 0.39
CNR2 P34972 2/20 0.39
CNR1 P21554 1/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
MAPT P10636 1/20 0.38
MCL1 Q07820 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PPARG P37231 1/20 0.37

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
SCHEMBL4783662 1.00 CA1 (0.49) CA1CA2PNMTHDAC8NR1H2
SCHEMBL4783169 1.00 CA1 (0.49) CA1CA2PNMTHDAC8NR1H2
SCHEMBL4784546 0.92 NR1H2 (0.46) CA1CA2NR1H2SFRP1WNT3
SCHEMBL4732746 0.86 CA1 (0.56) CA1CA2PNMTHDAC8NR1H2
SCHEMBL4794680 0.84 NR1H2 (0.46) PNMTHDAC8NR1H2SFRP1WNT3
SCHEMBL2372639 0.83 CNR2 (0.48) SFRP1WNT3ADRA2ANPY5RMCHR1
SCHEMBL4733218 0.82 SFRP1 (0.39) NR1H2SFRP1WNT3ADRA2ANPY5R
SCHEMBL4732292 0.82 SFRP1 (0.39) NR1H2SFRP1WNT3ADRA2ANPY5R
SCHEMBL4733090 0.82 SFRP1 (0.39) NR1H2SFRP1WNT3ADRA2ANPY5R
SCHEMBL4780533 0.81 NR1H2 (0.43) HDAC8NR1H2SFRP1WNT3ADRA2A

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