SCHEMBL9535942

SCHEMBL9535942

O=C1CC(c2c(O)cccc2O)=NN1c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.54
KMT2A Q03164 6/20 0.54
MEN1 O00255 5/20 0.54
LMNA P02545 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
ALDH1A1 P00352 1/20 0.54
HTT P42858 1/20 0.54
KDM4E B2RXH2 3/20 0.47
GAA P10253 3/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MAOB P27338 11/20 0.45
PDCD1 Q15116 1/20 0.45
CD274 Q9NZQ7 1/20 0.45
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
USP2 O75604 1/20 0.40
POLB P06746 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
SCHEMBL10382652 0.91 MAPT (0.55) MAPTKMT2AMEN1LMNATDP1
SCHEMBL9536843 0.88 MAPT (0.48) MAPTKMT2AMEN1LMNATDP1
SCHEMBL10381857 0.85 MAPT (0.50) MAPTKMT2AMEN1LMNATDP1
SCHEMBL9533962 0.84 MAOB (0.62) MAPTKMT2AMEN1LMNATDP1
SCHEMBL9536646 0.81 CD274 (0.50) MAPTKMT2AMEN1LMNATDP1
SCHEMBL10381181 0.80 MAOB (0.58) MAPTKMT2AMEN1LMNATDP1
SCHEMBL10381192 0.79 MAOB (0.59) MAPTKMT2AMEN1LMNATDP1
SCHEMBL5457017 0.78 CD274 (0.56) MAPTKMT2AMEN1LMNATDP1
SCHEMBL3261412 0.78 MAPT (0.66) MAPTKMT2AMEN1LMNATDP1
SCHEMBL10382658 0.78 MAOB (0.65) MAPTKMT2AMEN1LMNATDP1

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