SCHEMBL9536258

SCHEMBL9536258

O=C1CC(c2cc(O)ccc2O)=NN1c1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 15/20 0.52
MAPT P10636 3/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
PRKCZ Q05513 1/20 0.43
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
GAA P10253 1/20 0.41

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
SCHEMBL10381192 0.92 MAOB (0.59) MAOBMAPTKMT2AMEN1ALDH1A1
SCHEMBL9535278 0.88 MAOB (0.57) MAOBMAPTKMT2AMEN1ALDH1A1
SCHEMBL9531614 0.88 MAOB (0.49) MAOBTDP1KDM4ECD274
SCHEMBL9533173 0.87 MAOB (0.65) MAOBMAPTKMT2AMEN1ALDH1A1
SCHEMBL9532206 0.87 MAOB (0.54) MAOBGAA
SCHEMBL10381181 0.85 MAOB (0.58) MAOBMAPTKMT2AMEN1ALDH1A1
SCHEMBL10381178 0.84 MAOB (0.55) MAOBMAPTKMT2AMEN1ALDH1A1
SCHEMBL9534104 0.84 MAOB (0.58) MAOBMAPTKMT2AMEN1ALDH1A1
SCHEMBL9533962 0.84 MAOB (0.62) MAOBMAPTKMT2AMEN1ALDH1A1
SCHEMBL10381325 0.83 MAOB (0.58) MAOBMAPTKMT2AMEN1ALDH1A1

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