SCHEMBL6176569

SCHEMBL6176569

CC(O)Cn1cnc2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 1/20 0.68
GGPS1 O95749 1/20 0.60
FDPS P14324 1/20 0.60
AGER Q15109 8/20 0.60
TDP1 Q9NUW8 1/20 0.59
MAPT P10636 3/20 0.59
MAPK1 P28482 2/20 0.59
LMNA P02545 2/20 0.59
HTT P42858 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
GAA P10253 1/20 0.59
POLB P06746 2/20 0.58
TSHR P16473 1/20 0.58
HSD17B10 Q99714 1/20 0.58
IDO1 P14902 1/20 0.58
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56

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
SCHEMBL6175278 1.00 APAF1 (0.68) APAF1GGPS1FDPSAGERTDP1
SCHEMBL1026002 0.86 APAF1 (0.67) APAF1GGPS1FDPSAGERTDP1
SCHEMBL6791275 0.86 GGPS1 (0.64) APAF1GGPS1FDPSAGERTDP1
SCHEMBL6174975 0.85 TDP1 (0.68) APAF1GGPS1FDPSAGERTDP1
SCHEMBL19432570 0.84 APAF1 (0.65) APAF1GGPS1FDPSAGERTDP1
SCHEMBL14408911 0.83 APAF1 (0.63) APAF1GGPS1FDPSAGERTDP1
SCHEMBL6404117 0.82 AGER (0.59) APAF1GGPS1FDPSAGERTDP1
SCHEMBL4070932 0.81 AGER (0.67) APAF1GGPS1FDPSAGERTDP1
SCHEMBL13545635 0.81 APAF1 (0.61) APAF1GGPS1FDPSAGERTDP1
SCHEMBL2446284 0.81 APAF1 (1.00) APAF1GGPS1FDPSAGERTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392280-A4 ARYLSULFONAMIDE ETHERS, AND METHODS OF USE THEREOF WARNER LAMBERT CO (US) 2005-11-30 EP disclosed
EP-1392280-A2 ARYLSULFONAMIDE ETHERS, AND METHODS OF USE THEREOF Abbott GmbH & Co. KG (DE) 2004-03-03 EP disclosed
WO-2002089749-A2 ARYLSULFONAMIDE ETHERS, AND METHODS OF USE THEREOF ABBOTT GMBH & CO.KG (DE) 2002-11-14 WO disclosed