SCHEMBL22815992

SCHEMBL22815992

CCOC(=O)c1nnn(Cc2ccc(OC)cc2)c1CN(CC)c1ccc2cc(Cl)ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.44
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 4/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HSD17B10 Q99714 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
ALOX15 P16050 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
UCHL1 P09936 1/20 0.38

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
SCHEMBL22815942 0.90 CYP19A1 (0.45) CYP19A1GABRA2GABRB2SMN1; SMN2HPGD
SCHEMBL22816427 0.84 CYP19A1 (0.42) CYP19A1SMN1; SMN2HPGDKDM4EMAPT
SCHEMBL22815829 0.83 CYP19A1 (0.45) CYP19A1SMN1; SMN2HPGDKDM4EPOLB
SCHEMBL22815645 0.83 CYP19A1 (0.48) CYP19A1GABRA2GABRB2SMN1; SMN2HPGD
SCHEMBL22816960 0.83 POLB (0.40) CYP19A1SMN1; SMN2HPGDKDM4EMAPT
SCHEMBL22816919 0.81 CYP19A1 (0.46) CYP19A1GABRA2GABRB2SMN1; SMN2HPGD
SCHEMBL22815917 0.80 CYP19A1 (0.42) CYP19A1GABRA2GABRB2SMN1; SMN2HPGD
SCHEMBL22816961 0.79 ALOX15 (0.42) HPGDKDM4EMAPTPOLBMEN1
SCHEMBL22815696 0.79 CYP19A1 (0.65) CYP19A1GABRA2GABRB2SMN1; SMN2HPGD
SCHEMBL22815756 0.79 CYP19A1 (0.49) CYP19A1GABRA2GABRB2SMN1; SMN2HPGD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020257487-A1 GLYCOLATE OXIDASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARMACEUTICAL INC. (US) 2020-12-24 WO disclosed