SCHEMBL22816574

SCHEMBL22816574

COc1ccc(Cn2nnc(C(=O)O)c2Nc2ccc(F)c(F)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
POLB P06746 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
ALOX15 P16050 1/20 0.47
AKR1C3 P42330 9/20 0.45
MAPT P10636 3/20 0.45
KCNH2 Q12809 1/20 0.44
HSD17B10 Q99714 2/20 0.43
HPGD P15428 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
AKR1C2 P52895 1/20 0.42
ALDH1A1 P00352 2/20 0.41
P2RX7 Q99572 1/20 0.41
HTT P42858 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
SCHEMBL21296940 0.89 MEN1 (0.54) MEN1KMT2APOLBL3MBTL1ALOX15
SCHEMBL22816573 0.88 MEN1 (0.49) MEN1KMT2APOLBL3MBTL1ALOX15
SCHEMBL22816473 0.87 MEN1 (0.48) MEN1KMT2APOLBL3MBTL1ALOX15
SCHEMBL22816737 0.86 ALOX15 (0.49) MEN1KMT2APOLBL3MBTL1ALOX15
SCHEMBL22815706 0.84 POLB (0.47) MEN1KMT2APOLBL3MBTL1ALOX15
SCHEMBL22816820 0.84 MEN1 (0.46) MEN1KMT2APOLBL3MBTL1ALOX15
SCHEMBL22815714 0.84 TP53 (0.54) MEN1KMT2APOLBL3MBTL1ALOX15
SCHEMBL22815947 0.83 AKR1C3 (0.45) MEN1KMT2APOLBL3MBTL1ALOX15
SCHEMBL22816699 0.81 AKR1C3 (0.49) MEN1KMT2APOLBL3MBTL1ALOX15
SCHEMBL22815530 0.81 TP53 (0.52) MEN1KMT2AL3MBTL1ALOX15AKR1C3

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