SCHEMBL992491

SCHEMBL992491

NC(=O)C(CCO)C1=NNc2ccccc2C=C1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
EPHX1 P07099 1/20 0.31

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
SCHEMBL4146675 0.85 MAPT (0.33) GAAMAPTEPHX1
SCHEMBL8656113 0.80 EPHX1 (0.31) MAPTEPHX1
SCHEMBL4058588 0.69 MAPT (0.41) GAAMAPT
SCHEMBL8197993 0.69 MAPT (0.37) GAAMAPT
SCHEMBL8799466 0.69 GAA (0.43) GAAMAPT
SCHEMBL4915107 0.66 GAA (0.37) GAAMAPT
SCHEMBL15865155 0.66 MAPT (0.37) GAAMAPT
SCHEMBL5412235 0.66 GAA (0.37) GAAMAPT
SCHEMBL8900868 0.66 GAA (0.38) GAAMAPT
SCHEMBL11710279 0.66 GAA (0.43) GAAMAPT

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-2448961-A2 TARGETS FOR RETROVIRUS ASSOCIATED DISEASES Université de Liège (BE) 2012-05-09 EP disclosed
US-20120090043-A1 TARGETS FOR RETROVIRUS ASSOCIATED DISEASES UNIVERSITE DE LIEGE (BE) 2012-04-12 US disclosed
WO-2011000860-A2 TARGETS FOR RETROVIRUS ASSOCIATED DISEASES Université de Liège (BE) 2011-01-06 WO disclosed