SCHEMBL22816685

SCHEMBL22816685

CCOC(=O)c1nnn(Cc2ccc(OC)cc2)c1Nc1ccc(-c2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.46
AKR1C3 P42330 4/20 0.45
MAPT P10636 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 3/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ALOX15 P16050 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PTGDR Q13258 1/20 0.42

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
SCHEMBL22816474 0.93 MEN1 (0.46) CYP19A1MAPTMEN1KMT2AHPGD
SCHEMBL22815669 0.91 CYP19A1 (0.56) CYP19A1AKR1C3MAPTMEN1KMT2A
SCHEMBL21296878 0.90 MEN1 (0.51) CYP19A1AKR1C3MAPTMEN1KMT2A
SCHEMBL22815684 0.89 POLB (0.47) CYP19A1AKR1C3MAPTMEN1KMT2A
SCHEMBL22815716 0.89 CYP19A1 (0.41) CYP19A1AKR1C3MAPTMEN1KMT2A
SCHEMBL22816699 0.89 AKR1C3 (0.49) AKR1C3MAPTMEN1KMT2AHPGD
SCHEMBL22815534 0.86 TP53 (0.47) CYP19A1AKR1C3MAPTMEN1KMT2A
SCHEMBL22815949 0.86 AKR1C3 (0.47) CYP19A1AKR1C3MAPTMEN1KMT2A
SCHEMBL22816734 0.85 CYP19A1 (0.48) CYP19A1MAPTMEN1KMT2AHPGD
SCHEMBL22816823 0.84 CYP19A1 (0.48) CYP19A1AKR1C3MAPTHPGDALDH1A1

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