SCHEMBL22815919

SCHEMBL22815919

COc1ccc(Cn2nnc(C(=O)O)c2CN(C)c2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 3/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
PPARG P37231 1/20 0.41
CCR2 P41597 2/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
RXFP1 Q9HBX9 1/20 0.39
CETP P11597 1/20 0.39
HSD17B10 Q99714 3/20 0.38
HPGD P15428 2/20 0.38
AKR1C3 P42330 4/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
PDE8B O95263 1/20 0.38
PTGER4 P35408 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL22815917 0.89 CYP19A1 (0.42) ALOX15L3MBTL1POLBMAPTMEN1
SCHEMBL22816961 0.89 ALOX15 (0.42) ALOX15L3MBTL1POLBMAPTCYP2C9
SCHEMBL22816229 0.82 PTGDR2 (0.49) ALOX15L3MBTL1POLBMAPTCYP2C9
SCHEMBL22816958 0.81 TP53 (0.43) ALOX15L3MBTL1MEN1KMT2AAKR1C3
SCHEMBL22816013 0.78 AKR1C3 (0.47) ALOX15L3MBTL1POLBMAPTMEN1
SCHEMBL22815942 0.78 CYP19A1 (0.45) ALOX15L3MBTL1POLBMAPTCCR2
SCHEMBL28950371 0.78 ALOX15 (0.52) ALOX15L3MBTL1POLBMAPTMEN1
SCHEMBL22815906 0.77 ALOX15 (0.47) ALOX15L3MBTL1POLBMAPTCYP2C9
SCHEMBL22816659 0.77 ALOX15 (0.47) ALOX15L3MBTL1POLBMAPTCCR2
SCHEMBL3746346 0.76 CYP2C9 (0.44) POLBMAPTCYP2C9PPARGCCR2

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