SCHEMBL992492

SCHEMBL992492

O=C(CCCO)NC1=NNc2ccccc2C=C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
KDM4E B2RXH2 3/20 0.36
GAA P10253 3/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HDAC1 Q13547 7/20 0.33
HDAC3 O15379 6/20 0.33
HDAC4 P56524 6/20 0.33
HDAC7 Q8WUI4 6/20 0.33
HDAC2 Q92769 6/20 0.33
HDAC11 Q96DB2 6/20 0.33
HDAC8 Q9BY41 6/20 0.33
HDAC6 Q9UBN7 6/20 0.33
HDAC9 Q9UKV0 6/20 0.33
HDAC5 Q9UQL6 6/20 0.33
HDAC10 Q969S8 5/20 0.33
NCOR2 Q9Y618 2/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL5412235 0.77 GAA (0.37) MAPTKDM4EGAARAB9ASMN1; SMN2
SCHEMBL3289607 0.72 POLB (0.48) MAPTRAB9ASMN1; SMN2
SCHEMBL4481007 0.70 MAPT (0.42) MAPTKDM4EGAAMEN1KMT2A
SCHEMBL9385508 0.69 GAA (0.43) MAPTGAA
SCHEMBL27801775 0.69 MAPT (0.43) MAPTGAARAB9ASMN1; SMN2
SCHEMBL9381899 0.68 SMN1; SMN2 (0.50) MAPTKDM4EGAARAB9AMEN1
SCHEMBL5414764 0.66 MAPT (0.41) MAPTKDM4EGAARAB9AMEN1
SCHEMBL4915107 0.66 GAA (0.37) MAPTKDM4EGAARAB9AMEN1
SCHEMBL8900868 0.66 GAA (0.38) MAPTGAAHDAC1HDAC3HDAC4
SCHEMBL4788944 0.66 KCNH3 (0.38) MAPTKDM4EGAARAB9ASMN1; SMN2

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