SCHEMBL29636451

SCHEMBL29636451

O=[N+]([O-])c1ccc2c(c1)Oc1ccccc1N2

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.72
MEN1 O00255 6/20 0.72
KMT2A Q03164 6/20 0.72
POLB P06746 5/20 0.72
L3MBTL1 Q9Y468 2/20 0.72
ALDH1A1 P00352 2/20 0.72
SNCA P37840 3/20 0.55
ALOX5 P09917 2/20 0.55
LMNA P02545 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
HTT P42858 3/20 0.53
ALPL P05186 1/20 0.50
HTR2B P41595 1/20 0.45
CAPN9 O14815 1/20 0.44
CASP3 P42574 1/20 0.44
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL21628256 1.00 MAPT (0.72) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL30811587 1.00 MAPT (0.72) MAPTMEN1KMT2APOLBL3MBTL1
Bicarbonate SCHEMBL6267648 0.94 MAPT (0.65) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL10346886 0.92 MEN1 (0.59) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL29636440 0.92 MEN1 (0.59) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL10650637 0.89 MEN1 (0.57) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL30867064 0.89 MEN1 (0.57) MAPTMEN1KMT2APOLBL3MBTL1
Phenoxazine SCHEMBL27280590 0.89 MAPT (0.65) MAPTMEN1KMT2APOLBL3MBTL1
Bicarbonate SCHEMBL6272137 0.82 MEN1 (0.51) MAPTMEN1KMT2APOLBL3MBTL1
Bicarbonate SCHEMBL6268507 0.81 KMT2A (0.51) MAPTMEN1KMT2APOLBL3MBTL1

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 5 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
EP-4237498-A1 COMPOSITIONS COMPRISING LEUCO COMPOUNDS AND COLORANTS Milliken & Company (US) 2023-09-06 EP disclosed
EP-4190856-A1 RUBBER COMPOSITION Continental Reifen Deutschland GmbH (DE) 2023-06-07 EP disclosed
WO-2022093189-A1 COMPOSITIONS COMPRISING LEUCO COMPOUNDS AND COLORANTS MILLIKEN & COMPANY (US) 2022-05-05 WO disclosed