SCHEMBL9536646

SCHEMBL9536646

O=C1CC(c2c(O)cccc2O)=NN1c1ccc(Cl)cn1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 11/20 0.50
PDCD1 Q15116 9/20 0.50
BRD4 O60885 1/20 0.41
MAPT P10636 3/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 2/20 0.37
GAA P10253 2/20 0.37
APAF1 O14727 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAOB P27338 3/20 0.36
CNR2 P34972 1/20 0.36
GPR55 Q9Y2T6 1/20 0.35

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
SCHEMBL9536506 0.86 CD274 (0.54) CD274PDCD1BRD4KDM4EALDH1A1
SCHEMBL9535942 0.81 MAPT (0.54) CD274PDCD1MAPTKMT2AMEN1
SCHEMBL24190672 0.74 CD274 (0.45) CD274PDCD1MAPTKMT2AMEN1
SCHEMBL10382652 0.73 MAPT (0.55) CD274PDCD1MAPTKMT2AMEN1
SCHEMBL9533843 0.71 MAOB (0.49) CD274PDCD1BRD4KMT2AMEN1
SCHEMBL10381857 0.71 MAPT (0.50) CD274PDCD1MAPTKMT2AMEN1
SCHEMBL9536843 0.71 MAPT (0.48) CD274PDCD1MAPTKMT2AMEN1
SCHEMBL9534350 0.68 MAPT (0.59) CD274PDCD1MAPTLMNAKDM4E
SCHEMBL9534473 0.68 CD274 (0.59) CD274PDCD1MAPTKMT2AMEN1
SCHEMBL22908621 0.67 CD274 (1.00) CD274PDCD1MAPTKMT2AMEN1

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 2 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