SCHEMBL30811586

SCHEMBL30811586

CC(C)(C)c1ccc2c(c1)Oc1cc(C(F)(F)F)ccc1N2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 7/20 0.49
▸ ACE2 Q9BYF1 1/20 0.40
▸ NOX1 Q9Y5S8 2/20 0.38
▸ CYBB P04839 1/20 0.38
▸ NOX3 Q9HBY0 1/20 0.38
▸ NOX4 Q9NPH5 1/20 0.38
▸ ALOX5 P09917 1/20 0.35
▸ METAP2 P50579 1/20 0.34
▸ PDE2A O00408 1/20 0.34
▸ PIM1 P11309 1/20 0.34
▸ PIM2 Q9P1W9 1/20 0.34
▸ JUN P05412 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ NOTUM Q6P988 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL27344289 1.00 KIF11 (0.49) KIF11ACE2NOX1CYBBNOX3
SCHEMBL27344284 0.94 ACE2 (0.49) KIF11ACE2NOX1CYBBNOX3
SCHEMBL30811571 0.94 ACE2 (0.49) KIF11ACE2NOX1CYBBNOX3
SCHEMBL27344291 0.94 ACE2 (0.49) KIF11ACE2NOX1CYBBNOX3
SCHEMBL29636462 0.91 ALOX5 (0.41) KIF11ALOX5NFKB1NFKB2RELA
SCHEMBL21628210 0.91 ALOX5 (0.41) KIF11ALOX5NFKB1NFKB2RELA
SCHEMBL18448706 0.91 ACE2 (0.45) KIF11ACE2NOX1CYBBNOX3
SCHEMBL27344285 0.86 ACE2 (0.54) KIF11ACE2NOX1CYBBNOX3
SCHEMBL21628219 0.83 ALOX5 (0.59) KIF11ALOX5NFKB1NFKB2RELA
SCHEMBL29636432 0.83 ALOX5 (0.59) KIF11ALOX5NFKB1NFKB2RELA

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 2 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
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