SCHEMBL9534068

SCHEMBL9534068

O=C1CC(c2ccccc2O)=NN1c1ccc(Br)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.62
GAA P10253 3/20 0.46
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
MAPT P10636 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ATM Q13315 1/20 0.44
KDM4E B2RXH2 2/20 0.43
POLB P06746 1/20 0.42
EP300 Q09472 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CHRM2 P08172 1/20 0.41
CYP3A4 P08684 1/20 0.41
CHRM1 P11229 1/20 0.41
TSHR P16473 1/20 0.41
PTGS1 P23219 1/20 0.41
DRD3 P35462 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL10382659 0.88 MAOB (0.64) MAOBGAAMEN1KMT2AMAPT
SCHEMBL9536658 0.87 MAOB (0.64) MAOBGAAMEN1KMT2AMAPT
SCHEMBL9533962 0.86 MAOB (0.62) MAOBGAAMEN1KMT2AMAPT
SCHEMBL9532937 0.86 MAOB (0.62) MAOBGAAMEN1KMT2AMAPT
SCHEMBL9532206 0.84 MAOB (0.54) MAOBGAA
SCHEMBL9534595 0.83 MAOB (0.59) MAOBGAAMEN1KMT2AMAPT
SCHEMBL5775147 0.83 MAOB (0.59) MAOBGAAMEN1KMT2AMAPT
SCHEMBL9532759 0.83 MAOB (0.59) MAOBGAAMEN1KMT2AMAPT
SCHEMBL10381175 0.83 MAOB (0.59) MAOBGAAMEN1KMT2AMAPT
SCHEMBL9533843 0.82 MAOB (0.49) MAOBMEN1KMT2AATMALDH1A1

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 3 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