SCHEMBL22816699

SCHEMBL22816699

COc1ccc(Cn2nnc(C(=O)O)c2Nc2ccc(-c3ccc(Cl)c(Cl)c3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 7/20 0.49
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALOX15 P16050 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ERCC5 P28715 2/20 0.44
FEN1 P39748 2/20 0.44
POLB P06746 3/20 0.43
MAPT P10636 1/20 0.43
GUSB P08236 1/20 0.43
NPBWR1 P48145 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
PTGER4 P35408 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
SCHEMBL22816473 0.92 MEN1 (0.48) AKR1C3MEN1KMT2AALOX15L3MBTL1
SCHEMBL22816685 0.89 CYP19A1 (0.46) AKR1C3MEN1KMT2AALOX15L3MBTL1
SCHEMBL21296940 0.89 MEN1 (0.54) AKR1C3MEN1KMT2AALOX15L3MBTL1
SCHEMBL22815530 0.85 TP53 (0.52) AKR1C3MEN1KMT2AALOX15L3MBTL1
SCHEMBL22815947 0.84 AKR1C3 (0.45) AKR1C3MEN1KMT2AALOX15L3MBTL1
SCHEMBL22816737 0.84 ALOX15 (0.49) AKR1C3MEN1KMT2AALOX15L3MBTL1
SCHEMBL22816828 0.83 NPBWR1 (0.47) AKR1C3MEN1KMT2AALOX15L3MBTL1
SCHEMBL22816433 0.83 EIF4E (0.48) MEN1KMT2AMAPT
SCHEMBL22816659 0.83 ALOX15 (0.47) AKR1C3MEN1KMT2AALOX15L3MBTL1
SCHEMBL22815714 0.81 TP53 (0.54) AKR1C3MEN1KMT2AALOX15L3MBTL1

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