SCHEMBL8551326

SCHEMBL8551326

O=[N+]([O-])c1cccc2c(-c3ccccn3)nnc(Cl)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
KMT2A Q03164 5/20 0.44
KDM4E B2RXH2 4/20 0.44
MEN1 O00255 4/20 0.44
TDP1 Q9NUW8 4/20 0.44
POLB P06746 3/20 0.43
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
NPC1 O15118 2/20 0.39
S1PR4 O95977 1/20 0.39
HPGD P15428 1/20 0.39
XBP1 P17861 1/20 0.39
S1PR1 P21453 1/20 0.39
CCR6 P51684 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GAA P10253 1/20 0.39
PDE10A Q9Y233 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 2/20 0.38
PKM P14618 2/20 0.38

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
SCHEMBL8548778 0.81 KMT2A (0.47) ALDH1A1KMT2AKDM4EMEN1TDP1
SCHEMBL8553148 0.79 PLAU (0.42) ALDH1A1KMT2AKDM4EMEN1TDP1
SCHEMBL8553138 0.77 POLB (0.37) ALDH1A1KMT2AKDM4EMEN1POLB
SCHEMBL8548686 0.76 LRRK2 (0.49) ALDH1A1KMT2AKDM4EMEN1TDP1
SCHEMBL8548608 0.75 MAPT (0.44) ALDH1A1KMT2AKDM4EMEN1TDP1
SCHEMBL9807627 0.74 METAP1 (0.47) ALDH1A1KDM4ETDP1POLBNPC1
SCHEMBL16387910 0.73 PDE10A (0.50) ALDH1A1KMT2AKDM4EMEN1POLB
SCHEMBL4150422 0.72 PDE10A (0.53) ALDH1A1KMT2AKDM4EMEN1TDP1
SCHEMBL30117516 0.72 PDE10A (0.53) ALDH1A1KMT2AKDM4EMEN1TDP1
SCHEMBL5006757 0.71 ALDH1A1 (0.46) ALDH1A1KMT2AKDM4EMEN1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0825187-A1 Condensed pyridazinyl guanidines, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-25 EP disclosed