SCHEMBL9537036

SCHEMBL9537036

COc1ccc(O)c(C2=NN(c3ccc(Br)cc3)C(=O)C2)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.58
APP P05067 1/20 0.46
GAA P10253 4/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
MAOA P21397 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
POLB P06746 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RECQL P46063 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
SCHEMBL9534104 0.88 MAOB (0.58) MAOBAPPGAAKMT2AMEN1
SCHEMBL9533087 0.85 MAOB (0.57) MAOBAPPGAAKMT2AMEN1
SCHEMBL9532206 0.84 MAOB (0.54) MAOBGAA
SCHEMBL9534595 0.81 MAOB (0.59) MAOBAPPGAAKMT2AMEN1
SCHEMBL10381797 0.80 MAOB (0.49) MAOBAPPGAAKMT2AMEN1
SCHEMBL9534068 0.79 MAOB (0.62) MAOBAPPGAAKMT2AMEN1
SCHEMBL5455130 0.78 MAOB (0.53) MAOBGAAKMT2AMEN1MAOA
SCHEMBL9536346 0.75 MAOB (0.49) MAOBGAAKMT2AMEN1SMN1; SMN2
SCHEMBL10381192 0.74 MAOB (0.59) MAOBGAAKMT2AMEN1KDM4E
SCHEMBL9535278 0.73 MAOB (0.57) MAOBGAAKMT2AMEN1KDM4E

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