SCHEMBL30811547

SCHEMBL30811547

Cc1cccc2c1Nc1c(C)cccc1O2

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.41
DAO P14920 1/20 0.41
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CA12 O43570 1/20 0.36
CA4 P22748 1/20 0.36
HTR5A P47898 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2A6 P11509 1/20 0.36
CD44 P16070 1/20 0.36
HTR2C P28335 1/20 0.35
TSHR P16473 1/20 0.35
ACHE P22303 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL24484552 1.00 ALOX5 (0.41) ALOX5DAOCA1CA2CA7
SCHEMBL3870286 0.86 ALOX5 (0.59) ALOX5MEN1KMT2A
SCHEMBL31191637 0.86 ALOX5 (0.59) ALOX5MEN1KMT2A
SCHEMBL31618797 0.84 ALOX5 (0.57) ALOX5MEN1KMT2A
SCHEMBL12016686 0.80 CREBBP (0.41) ALOX5DAOCA1CA2CA7
SCHEMBL5671412 0.80 HTR5A (0.38) DAOCA1CA2CA7CA9
SCHEMBL10981657 0.75 ALOX5 (0.42) ALOX5MEN1KMT2A
SCHEMBL11505295 0.75 DAO (0.45) ALOX5DAOCA1CA2CA7
SCHEMBL29198935 0.71 ALOX5 (0.41) ALOX5CA1CA2CA7CA9
SCHEMBL3423393 0.70 AHR (0.43) ALOX5CA1CA2CA7CA9

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