SCHEMBL27344285

SCHEMBL27344285

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.54
KIF11 P52732 5/20 0.49
JUN P05412 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
CYBB P04839 1/20 0.41
NOX3 Q9HBY0 1/20 0.41
NOX4 Q9NPH5 1/20 0.41
NOX1 Q9Y5S8 1/20 0.41
ABL1 P00519 1/20 0.39
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ALOX5 P09917 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL27344291 0.94 ACE2 (0.49) ACE2KIF11JUNNFKB1NFKB2
SCHEMBL30811571 0.94 ACE2 (0.49) ACE2KIF11JUNNFKB1NFKB2
SCHEMBL27344284 0.94 ACE2 (0.49) ACE2KIF11JUNNFKB1NFKB2
SCHEMBL21628211 0.91 ACE2 (0.42) ACE2KIF11JUNNFKB1NFKB2
SCHEMBL30811586 0.86 KIF11 (0.49) ACE2KIF11JUNNFKB1NFKB2
SCHEMBL27344289 0.86 KIF11 (0.49) ACE2KIF11JUNNFKB1NFKB2
SCHEMBL11535935 0.83 ALOX5 (0.59) ACE2KIF11JUNNFKB1NFKB2
SCHEMBL29636456 0.83 ALOX5 (0.59) ACE2KIF11JUNNFKB1NFKB2
SCHEMBL21628218 0.83 ALOX5 (0.59) ACE2KIF11ALDH1A1ALOX5
SCHEMBL27345997 0.79 ACE2 (0.50) ACE2JUNNFKB1NFKB2RELA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4543863-A1 FERROPTOSIS INHIBITORS AND USES THEREOF University Of Ottawa (CA) 2025-04-30 EP disclosed
WO-2023245297-A1 FERROPTOSIS INHIBITORS AND USES THEREOF UNIVERSITY OF OTTAWA (CA) 2023-12-28 WO disclosed
WO-2023245297-A1 FERROPTOSIS INHIBITORS AND USES THEREOF UNIVERSITY OF OTTAWA (CA) 2023-12-28 WO disclosed