SCHEMBL4783995

SCHEMBL4783995

NC(=O)COc1ccc2c(c1)CC(NS(=O)(=O)c1ccc(Br)cc1C(F)(F)F)C2

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 6/20 0.43
SFRP1 Q8N474 1/20 0.38
PPARG P37231 1/20 0.36
MAPT P10636 1/20 0.36
PDK2 Q15119 1/20 0.35
HDAC8 Q9BY41 2/20 0.35
MCHR1 Q99705 2/20 0.35
ADRA2A P08913 1/20 0.35
NPY5R Q15761 1/20 0.35
PFKFB3 Q16875 1/20 0.34
HTR1A P08908 1/20 0.34
HTR7 P34969 1/20 0.34
GRIA2 P42262 1/20 0.34
TBXA2R P21731 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34

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
SCHEMBL4783187 0.91 NR1H2 (0.44) NR1H2SFRP1PPARGMAPT
SCHEMBL4781466 0.86 NR1H2 (0.47) NR1H2SFRP1HDAC8
SCHEMBL4782721 0.86 NR1H2 (0.41) NR1H2SFRP1MAPTPDK2HDAC8
SCHEMBL4794680 0.84 NR1H2 (0.46) NR1H2SFRP1PPARGHDAC8MCHR1
SCHEMBL4785036 0.81 NR1H2 (0.45) NR1H2PDK2GRIA2CNR1CNR2
SCHEMBL4780535 0.81 NR1H2 (0.44) NR1H2SFRP1PPARGHDAC8MCHR1
SCHEMBL4780533 0.80 NR1H2 (0.43) NR1H2SFRP1PPARGHDAC8MCHR1
SCHEMBL4636821 0.79 SFRP1 (0.63) SFRP1
SCHEMBL4781542 0.79 PTGDR2 (0.44) NR1H2SFRP1MAPTMCHR1ADRA2A
SCHEMBL4784546 0.79 NR1H2 (0.46) NR1H2SFRP1PPARGMAPTMCHR1

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