SCHEMBL22816596

SCHEMBL22816596

COc1ccc(Cn2nnc(C(=O)O)c2Oc2ccc(C3CC(F)(F)C3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
AKR1C3 P42330 4/20 0.41
CNR2 P34972 1/20 0.39
POLB P06746 3/20 0.39
MAPT P10636 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
METAP2 P50579 2/20 0.38
KCNJ6 P48051 1/20 0.38
KCNJ3 P48549 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 2/20 0.37
HPGD P15428 2/20 0.37
PTGER4 P35408 1/20 0.37
PDE8B O95263 1/20 0.37
RECQL P46063 1/20 0.36
ERCC5 P28715 1/20 0.36

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
SCHEMBL22816618 0.91 CNR2 (0.42) ALOX15L3MBTL1MEN1KMT2AAKR1C3
SCHEMBL23319971 0.89 ALOX15 (0.42) ALOX15L3MBTL1MEN1KMT2AAKR1C3
SCHEMBL25463564 0.87 KDM4E (0.45) ALOX15L3MBTL1MEN1KMT2APOLB
SCHEMBL22816848 0.85 ALOX15 (0.42) ALOX15L3MBTL1MEN1KMT2AAKR1C3
SCHEMBL26467810 0.83 CYP19A1 (0.39) ALOX15L3MBTL1MEN1KMT2AAKR1C3
SCHEMBL26088232 0.82 S1PR4 (0.40) ALOX15L3MBTL1MEN1KMT2AAKR1C3
SCHEMBL26467681 0.82 CYP19A1 (0.39) ALOX15L3MBTL1MEN1KMT2APOLB
SCHEMBL25465647 0.82 ALOX15 (0.41) ALOX15L3MBTL1MEN1KMT2AAKR1C3
SCHEMBL22816026 0.82 ALDH1A1 (0.45) ALOX15L3MBTL1MEN1KMT2AAKR1C3
SCHEMBL21296920 0.81 NPBWR1 (0.51) ALOX15L3MBTL1MEN1KMT2AAKR1C3

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