SCHEMBL7697138

SCHEMBL7697138

ClCOc1ccc2ccccc2n1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
MAPT P10636 1/20 0.56
CYSLTR2 Q9NS75 1/20 0.44
CYSLTR1 Q9Y271 1/20 0.44
NCF1 P14598 3/20 0.42
NOS2 P35228 1/20 0.42
BACE1 P56817 1/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
CYP1A2 P05177 1/20 0.42
PDE10A Q9Y233 2/20 0.41
HDAC1 Q13547 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL5735971 0.85 MEN1 (0.61) KMT2AMEN1MAPTCYSLTR2CYSLTR1
SCHEMBL8067767 0.83 MEN1 (0.59) KMT2AMEN1MAPTCYSLTR2CYSLTR1
SCHEMBL887723 0.80 MAPT (0.56) KMT2AMEN1MAPTCYSLTR2CYSLTR1
SCHEMBL31531064 0.80 MEN1 (0.56) KMT2AMEN1MAPTCYSLTR2CYSLTR1
SCHEMBL241952 0.80 MEN1 (0.56) KMT2AMEN1MAPTCYSLTR2CYSLTR1
SCHEMBL28628097 0.80 MEN1 (0.56) KMT2AMEN1MAPTCYSLTR2CYSLTR1
SCHEMBL30060467 0.77 MEN1 (0.61) KMT2AMEN1MAPTCYSLTR2CYSLTR1
SCHEMBL9663555 0.77 MAPT (0.61) KMT2AMEN1MAPTCYSLTR2CYSLTR1
SCHEMBL9199234 0.77 MEN1 (0.61) KMT2AMEN1MAPTCYSLTR2CYSLTR1
SCHEMBL1010648 0.77 MEN1 (0.53) KMT2AMEN1MAPTCYSLTR2CYSLTR1

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-2002026713-A1 ANTIPARASITIC COMPOUNDS KING'S COLLEGE LONDON (GB) 2002-04-04 WO disclosed