SCHEMBL9536843

SCHEMBL9536843

COc1cccc(O)c1C1=NN(c2ccc(Cl)cc2)C(=O)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
ALDH1A1 P00352 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
KDM4E B2RXH2 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
AMY1A P0DUB6 3/20 0.44
GAA P10253 2/20 0.42
MAOB P27338 6/20 0.42
PDCD1 Q15116 2/20 0.41
CD274 Q9NZQ7 2/20 0.41
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL10381857 0.88 MAPT (0.50) MAPTKMT2AMEN1ALDH1A1TDP1
SCHEMBL9535942 0.88 MAPT (0.54) MAPTKMT2AMEN1ALDH1A1TDP1
SCHEMBL10381322 0.85 PDCD1 (0.50) MAPTKMT2AMEN1ALDH1A1TDP1
SCHEMBL10382652 0.84 MAPT (0.55) MAPTKMT2AMEN1ALDH1A1TDP1
SCHEMBL9879128 0.79 MEN1 (0.49) MAPTKMT2AMEN1ALDH1A1TDP1
SCHEMBL9533962 0.76 MAOB (0.62) MAPTKMT2AMEN1ALDH1A1TDP1
SCHEMBL10381797 0.75 MAOB (0.49) MAPTKMT2AMEN1ALDH1A1TDP1
SCHEMBL9534104 0.74 MAOB (0.58) MAPTKMT2AMEN1ALDH1A1TDP1
SCHEMBL10381181 0.72 MAOB (0.58) MAPTKMT2AMEN1ALDH1A1TDP1
SCHEMBL27352822 0.72 KMT2A (0.48) MAPTKMT2AMEN1ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0539372-A1 THERAPEUTIC AGENTS The Boots Company PLC (GB) 1993-05-05 EP disclosed
WO-1991011448-A1 THERAPEUTIC AGENTS THE BOOTS COMPANY PLC (GB) 1991-08-08 WO disclosed
WO-1990001481-A1 THERAPEUTIC AGENTS THE BOOTS COMPANY PLC (GB) 1990-02-22 WO disclosed
EP-0354693-A1 Therapeutic agents The Boots Company PLC (GB) 1990-02-14 EP disclosed