SCHEMBL27344798

SCHEMBL27344798

CC(=O)c1ccc2c(c1)Nc1ccc3ccccc3c1O2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
ALOX5 P09917 4/20 0.47
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
GAA P10253 2/20 0.43
CYBB P04839 1/20 0.43
APP P05067 1/20 0.43
ALOX15 P16050 1/20 0.43
SNCA P37840 1/20 0.43
NOX3 Q9HBY0 1/20 0.43
NOX4 Q9NPH5 1/20 0.43
NOX1 Q9Y5S8 1/20 0.43
HTR2B P41595 2/20 0.41
HTR7 P34969 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MAOB P27338 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL27344796 0.83 MAPT (0.52) MAPTALDH1A1HPGDALOX5KMT2A
SCHEMBL22131480 0.80 TDP1 (0.49) MAPTALDH1A1ALOX5KMT2AMEN1
SCHEMBL4859644 0.78 ALOX5 (0.74) MAPTALOX5KMT2AMEN1GAA
SCHEMBL22961244 0.77 AHR (0.39) MAPTALDH1A1HPGDALOX5KMT2A
SCHEMBL22087145 0.76 KMT2A (0.41) MAPTALOX5KMT2AMEN1GAA
SCHEMBL29531401 0.76 ALOX5 (0.55) MAPTALDH1A1HPGDALOX5KMT2A
SCHEMBL303370 0.76 ALOX5 (0.55) MAPTALDH1A1HPGDALOX5KMT2A
SCHEMBL30811606 0.76 PDE3B (0.52) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL27344797 0.76 PDE3B (0.52) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL27346280 0.75 ALOX5 (0.34) MAPTALDH1A1ALOX5KMT2AMEN1

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-2023245297-A1 FERROPTOSIS INHIBITORS AND USES THEREOF UNIVERSITY OF OTTAWA (CA) 2023-12-28 WO disclosed