SCHEMBL27344796

SCHEMBL27344796

CC(=O)c1ccc2c(c1)Nc1c(ccc3ccccc13)O2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
ALOX5 P09917 8/20 0.48
HTR7 P34969 1/20 0.41
HTR2B P41595 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
CYBB P04839 1/20 0.41
APP P05067 1/20 0.41
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.41
SNCA P37840 1/20 0.41
KMT2A Q03164 1/20 0.41
NOX3 Q9HBY0 1/20 0.41
NOX4 Q9NPH5 1/20 0.41
NOX1 Q9Y5S8 1/20 0.41
MAOB P27338 1/20 0.39

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
SCHEMBL27344798 0.83 MAPT (0.51) MAPTALDH1A1HPGDALOX5HTR7
SCHEMBL4859644 0.79 ALOX5 (0.74) MAPTALOX5HTR7HTR2BKDM4E
SCHEMBL121074 0.77 ALOX5 (0.55) ALDH1A1HPGDALOX5KDM4EGAA
SCHEMBL30530994 0.77 ALOX5 (0.55) ALDH1A1HPGDALOX5KDM4EGAA
SCHEMBL31191628 0.77 ALOX5 (0.55) ALDH1A1HPGDALOX5KDM4EGAA
SCHEMBL28571843 0.75 ALOX5 (0.53) ALDH1A1HPGDALOX5KDM4EGAA
Hydrochloric Acid SCHEMBL31235549 0.75 ALOX5 (0.53) ALDH1A1HPGDALOX5HTR7HTR2B
SCHEMBL30811542 0.75 PDE3B (0.50) MAPTALDH1A1KDM4EMEN1GAA
SCHEMBL27344794 0.75 PDE3B (0.50) MAPTALDH1A1KDM4EMEN1GAA
Nitric Acid SCHEMBL997582 0.73 ALOX5 (0.47) MAPTALDH1A1ALOX5HTR7HTR2B

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