SCHEMBL30811560

SCHEMBL30811560

O=Cc1ccc2c(c1)Sc1ccccc1N2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 11/20 0.59
MAPT P10636 7/20 0.59
GAA P10253 6/20 0.59
SNCA P37840 4/20 0.59
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
ALOX15 P16050 4/20 0.59
TDP1 Q9NUW8 3/20 0.59
BCHE P06276 2/20 0.59
ACHE P22303 2/20 0.59
CYP1A2 P05177 2/20 0.59
POLB P06746 1/20 0.59
CYP3A4 P08684 1/20 0.59
ADORA3 P0DMS8 1/20 0.59
ALOX12 P18054 1/20 0.59
MAOA P21397 1/20 0.59
CNR1 P21554 1/20 0.59
PTGS1 P23219 1/20 0.59
SLC6A2 P23975 1/20 0.59
HTR2C P28335 1/20 0.59

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
SCHEMBL31174399 1.00 NOX1 (0.59) NOX1MAPTGAASNCAMEN1
SCHEMBL4625689 1.00 NOX1 (0.59) NOX1MAPTGAASNCAMEN1
SCHEMBL11280393 0.91 SNCA (0.46) NOX1MAPTGAASNCAMEN1
SCHEMBL11272621 0.90 NOX1 (0.59) NOX1MAPTGAASNCAMEN1
Phenothiazine SCHEMBL28891489 0.84 NOX1 (0.65) NOX1MAPTGAASNCAMEN1
SCHEMBL11391722 0.83 L3MBTL1 (0.64) NOX1MAPTGAASNCAMEN1
SCHEMBL8722738 0.83 NOX1 (0.59) NOX1MAPTGAASNCAMEN1
SCHEMBL11277664 0.80 NOX1 (0.43) NOX1MAPTGAASNCAMEN1
SCHEMBL31512613 0.79 NOX1 (0.53) NOX1MAPTGAASNCAMEN1
Phenothiazine SCHEMBL28091707 0.77 NOX1 (0.74) NOX1MAPTGAASNCAMEN1

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