SCHEMBL22816581

SCHEMBL22816581

COc1ccc(Cn2nnc(C(=O)O)c2Oc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.47
AKR1C3 P42330 5/20 0.45
ALOX15 P16050 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ERCC5 P28715 1/20 0.44
FEN1 P39748 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GCGR P47871 2/20 0.43
GIPR P48546 1/20 0.43
NPBWR1 P48145 1/20 0.42
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
POLB P06746 2/20 0.41
GRM2 Q14416 1/20 0.41
MAPT P10636 1/20 0.41
RXFP1 Q9HBX9 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
SCHEMBL22816232 0.97 TP53 (0.49) TP53AKR1C3ALOX15L3MBTL1MEN1
SCHEMBL22815655 0.90 NPBWR1 (0.51) TP53AKR1C3ALOX15L3MBTL1ERCC5
SCHEMBL22816586 0.89 CYP19A1 (0.47) TP53ALOX15L3MBTL1MEN1KMT2A
SCHEMBL22815921 0.89 NPBWR1 (0.41) TP53AKR1C3ALOX15L3MBTL1ERCC5
SCHEMBL22815558 0.89 PTGDR2 (0.42) TP53AKR1C3ALOX15L3MBTL1ERCC5
SCHEMBL22816662 0.89 MARS1 (0.43) TP53AKR1C3ALOX15L3MBTL1MEN1
SCHEMBL22815682 0.88 AKR1C3 (0.47) TP53AKR1C3ALOX15L3MBTL1MEN1
SCHEMBL22816144 0.87 TP53 (0.43) TP53AKR1C3ALOX15L3MBTL1MEN1
SCHEMBL23484637 0.86 NPBWR1 (0.53) TP53AKR1C3ALOX15L3MBTL1MEN1
SCHEMBL22815813 0.86 CYP19A1 (0.49) TP53AKR1C3ALOX15L3MBTL1ERCC5

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