SCHEMBL27345997

SCHEMBL27345997

CC(=O)c1ccc2c(c1)Nc1cc(C(F)(F)F)ccc1O2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.50
ALOX5 P09917 4/20 0.48
MAPT P10636 2/20 0.45
ALOX15 P16050 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
JUN P05412 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
AKR1C3 P42330 2/20 0.41
AKR1C2 P52895 2/20 0.41
HTR7 P34969 1/20 0.41
HTR2B P41595 1/20 0.41
MEN1 O00255 1/20 0.40
CYBB P04839 1/20 0.40
APP P05067 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL27344516 0.93 ALOX5 (0.48) ACE2ALOX5MAPTALOX15ALDH1A1
SCHEMBL27344785 0.81 ALOX5 (0.51) ALOX5MAPTALOX15ALDH1A1HTR7
SCHEMBL4859644 0.79 ALOX5 (0.74) ALOX5MAPTALOX15HTR7HTR2B
SCHEMBL27344285 0.79 ACE2 (0.54) ACE2ALOX5MAPTALOX15ALDH1A1
SCHEMBL27344712 0.78 ALOX5 (0.51) ALOX5MAPTALOX15ALDH1A1HTR7
SCHEMBL27344790 0.77 ABL1 (0.54) ALOX5ABL1
SCHEMBL29636456 0.75 ALOX5 (0.59) ACE2ALOX5MAPTJUNNFKB1
SCHEMBL11535935 0.75 ALOX5 (0.59) ACE2ALOX5MAPTJUNNFKB1
SCHEMBL27344709 0.74 ALOX5 (0.51) ALOX5MAPTALOX15ALDH1A1HTR7
SCHEMBL30811571 0.74 ACE2 (0.49) ACE2ALOX5MAPTALOX15ALDH1A1

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