SCHEMBL27344709

SCHEMBL27344709

CC(=O)c1ccc2c(c1)Nc1ccc(Cl)cc1O2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.51
HTR2B P41595 2/20 0.44
HTR7 P34969 1/20 0.44
AHR P35869 2/20 0.41
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
CYBB P04839 1/20 0.40
APP P05067 1/20 0.40
GAA P10253 1/20 0.40
ALOX15 P16050 1/20 0.40
SNCA P37840 1/20 0.40
NOX3 Q9HBY0 1/20 0.40
NOX4 Q9NPH5 1/20 0.40
NOX1 Q9Y5S8 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 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
SCHEMBL27344712 0.93 ALOX5 (0.51) ALOX5HTR2BHTR7AHRMEN1
SCHEMBL4859644 0.82 ALOX5 (0.74) ALOX5HTR2BHTR7MEN1MAPT
SCHEMBL27344516 0.80 ALOX5 (0.48) ALOX5HTR2BHTR7MEN1MAPT
SCHEMBL27344785 0.78 ALOX5 (0.51) ALOX5HTR2BHTR7MEN1MAPT
SCHEMBL17396556 0.78 AHR (0.58) ALOX5HTR2BHTR7AHRNOX1
SCHEMBL28399287 0.77 ALOX5 (0.58) ALOX5HTR2BHTR7MAPTGAA
SCHEMBL27344790 0.77 ABL1 (0.54) ALOX5
SCHEMBL28403621 0.75 ALOX5 (0.79) ALOX5HTR2BHTR7MAPTGAA
SCHEMBL27345997 0.74 ACE2 (0.50) ALOX5HTR2BHTR7MEN1MAPT
SCHEMBL8725779 0.73 ALOX5 (0.65) ALOX5HTR2BHTR7AHRMAPT

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