SCHEMBL6176584

SCHEMBL6176584

Cc1ccc2ncn(CC(C)O)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.50
APAF1 O14727 1/20 0.44
GGPS1 O95749 2/20 0.43
FDPS P14324 2/20 0.43
TNF P01375 1/20 0.43
CYP11B1 P15538 3/20 0.41
CYP11B2 P19099 3/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 4/20 0.41
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 3/20 0.40
MAPT P10636 3/20 0.40
GAA P10253 1/20 0.40
KDM4E B2RXH2 1/20 0.40
AGER Q15109 3/20 0.40
IDO1 P14902 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
MEN1 O00255 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
SCHEMBL6280460 1.00 POLB (0.50) POLBAPAF1GGPS1FDPSTNF
SCHEMBL12767952 0.87 POLB (0.66) POLBAPAF1GGPS1FDPSTNF
SCHEMBL6286371 0.83 POLB (0.45) POLBAPAF1GGPS1FDPSCYP11B1
SCHEMBL6177173 0.83 POLB (0.45) POLBAPAF1GGPS1FDPSCYP11B1
SCHEMBL6283401 0.81 POLB (0.76) POLBGGPS1FDPSALDH1A1HTT
SCHEMBL25430034 0.81 POLB (0.43) POLBAPAF1GGPS1FDPSHTT
SCHEMBL25430036 0.81 POLB (0.43) POLBAPAF1GGPS1FDPSHTT
SCHEMBL19911341 0.80 CYP11B1 (0.49) POLBTNFCYP11B1CYP11B2ALDH1A1
SCHEMBL6176569 0.79 APAF1 (0.68) POLBAPAF1GGPS1FDPSTNF
SCHEMBL6175278 0.79 APAF1 (0.68) POLBAPAF1GGPS1FDPSTNF

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