SCHEMBL22816144

SCHEMBL22816144

COc1ccc(Cn2nnc(C(=O)O)c2Oc2cc(Cl)cc(OC(F)(F)F)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
AKR1C3 P42330 5/20 0.42
POLB P06746 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
AKR1C2 P52895 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MCL1 Q07820 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
CHRM5 P08912 2/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL22816232 0.90 TP53 (0.49) TP53ALOX15L3MBTL1AKR1C3POLB
SCHEMBL22816146 0.90 CYP19A1 (0.44) TP53ALOX15L3MBTL1AKR1C3POLB
SCHEMBL22815682 0.89 AKR1C3 (0.47) TP53ALOX15L3MBTL1AKR1C3POLB
SCHEMBL22816581 0.87 TP53 (0.47) TP53ALOX15L3MBTL1AKR1C3POLB
SCHEMBL22816200 0.86 POLB (0.42) TP53ALOX15L3MBTL1AKR1C3POLB
SCHEMBL22816662 0.84 MARS1 (0.43) TP53ALOX15L3MBTL1AKR1C3POLB
SCHEMBL21296920 0.83 NPBWR1 (0.51) ALOX15L3MBTL1AKR1C3POLBMEN1
SCHEMBL22815921 0.83 NPBWR1 (0.41) TP53ALOX15L3MBTL1AKR1C3POLB
SCHEMBL23484637 0.82 NPBWR1 (0.53) TP53ALOX15L3MBTL1AKR1C3POLB
SCHEMBL28047000 0.81 AKR1C3 (0.55) ALOX15L3MBTL1AKR1C3POLBMEN1

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