SCHEMBL5145193

SCHEMBL5145193

O=[N+]([O-])c1n[nH]c2cccnc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.45
MAPT P10636 9/20 0.44
GRM4 Q14833 7/20 0.44
ALDH1A1 P00352 6/20 0.44
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
KDM4E B2RXH2 5/20 0.44
CTSB P07858 2/20 0.44
IDO1 P14902 2/20 0.44
TDO2 P48775 2/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.41
ITK Q08881 1/20 0.41
LMNA P02545 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
TDP1 Q9NUW8 4/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
HTT P42858 3/20 0.41
CASP6 P55212 3/20 0.41
NPC1 O15118 2/20 0.41

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
SCHEMBL29439822 0.75 GALR3 (0.39) MAPTGRM4KMT2AHPGDLMNA
SCHEMBL18130786 0.75 GALR3 (0.39) MAPTGRM4KMT2AHPGDLMNA
SCHEMBL30071547 0.73 KDM4E (0.48) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL342380 0.73 KDM4E (0.48) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL30856584 0.72 MAPT (0.44) PDE10AMAPTALDH1A1MEN1KMT2A
SCHEMBL3790051 0.72 MAPT (0.44) PDE10AMAPTALDH1A1MEN1KMT2A
SCHEMBL11546073 0.72 GRM4 (0.35) MAPTGRM4ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL28220934 0.71 KDM4E (0.47) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL3169007 0.69 PDE10A (0.53) PDE10AMAPTALDH1A1MEN1KMT2A
SCHEMBL1253994 0.69 NOS1 (0.50) MAPTALDH1A1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3976597-B1 SMALL MOLECULE INHIBITORS OF NF-KB INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2024-08-28 EP disclosed
JP-5324040-B2 2013-10-23 JP disclosed
EP-1792606-A1 Composition for dyeing keratinic fibers comprising at least one derivative of 3-amino pyrazolopyridine L'Oréal (FR) 2007-06-06 EP disclosed
EP-1792903-A1 Composition for the dyeing of keratin fibres comprising at least one cationic 3-amino-pyrazolopyridine derivative L'OREAL (FR) 2007-06-06 EP disclosed