SCHEMBL22815696

SCHEMBL22815696

CCOC(=O)c1nnn(Cc2ccc(OC)cc2)c1-c1ccc2cc(Cl)ccc2c1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 0.65
GABRA2 P47869 1/20 0.50
GABRB2 P47870 1/20 0.50
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
PTPN11 Q06124 1/20 0.45
KCNMA1 Q12791 1/20 0.44
TARBP2 Q15633 1/20 0.44
PDCD4 Q53EL6 1/20 0.44
HSD17B10 Q99714 1/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL22816295 0.90 CYP19A1 (0.77) CYP19A1GABRA2GABRB2ALDH1A1MAPT
SCHEMBL22815805 0.88 CYP19A1 (0.74) CYP19A1GABRA2GABRB2ALDH1A1MAPT
SCHEMBL22816671 0.88 CYP19A1 (0.61) CYP19A1GABRA2GABRB2ALDH1A1MAPT
SCHEMBL22816677 0.88 CYP19A1 (0.64) CYP19A1GABRA2GABRB2ALDH1A1MAPT
SCHEMBL22816020 0.87 CYP19A1 (0.53) CYP19A1GABRA2GABRB2ALDH1A1MAPT
SCHEMBL22815756 0.84 CYP19A1 (0.49) CYP19A1GABRA2GABRB2MAPTKDM4E
SCHEMBL22815695 0.84 CYP19A1 (0.50) CYP19A1GABRA2GABRB2MAPTKDM4E
SCHEMBL22816870 0.84 CYP19A1 (0.60) CYP19A1ALDH1A1MAPTKDM4EHPGD
SCHEMBL22815952 0.83 CYP19A1 (0.57) CYP19A1ALDH1A1MAPTKDM4EHPGD
SCHEMBL22815867 0.83 CYP19A1 (0.52) CYP19A1GABRA2GABRB2ALDH1A1MAPT

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