SCHEMBL25697702

SCHEMBL25697702

O=Nc1ccccc1-c1nc(-c2ccccc2O)n(-c2ccc(C(=O)O)cc2)n1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 3/20 0.80
KDM6B O15054 1/20 0.80
ABCC4 O15439 1/20 0.80
ABCB11 O95342 1/20 0.80
KDM5A P29375 1/20 0.80
BLVRB P30043 1/20 0.80
SCN5A Q14524 1/20 0.80
KCND3 Q9UK17 1/20 0.80
KEAP1 Q14145 1/20 0.46
LMNA P02545 3/20 0.45
TSHR P16473 1/20 0.45
MAPT P10636 3/20 0.44
KMT2A Q03164 2/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 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
Deferasirox SCHEMBL29381781 0.89 KDM4A (1.00) KDM4AKDM6BABCC4ABCB11KDM5A
Deferasirox SCHEMBL61756 0.89 KDM4A (1.00) KDM4AKDM6BABCC4ABCB11KDM5A
SCHEMBL5843740 0.84 KDM4A (0.85) KDM4AKDM6BABCC4ABCB11KDM5A
SCHEMBL5843247 0.82 KDM4A (0.81) KDM4AKDM6BABCC4ABCB11KDM5A
SCHEMBL20080980 0.82 KDM4A (0.85) KDM4AKDM6BABCC4ABCB11KDM5A
SCHEMBL22184113 0.81 KDM4A (0.80) KDM4AKDM6BABCC4ABCB11KDM5A
SCHEMBL19722958 0.81 KDM4A (0.78) KDM4AKDM6BABCC4ABCB11KDM5A
SCHEMBL5842285 0.80 KDM4A (0.81) KDM4AKDM6BABCC4ABCB11KDM5A
SCHEMBL20620461 0.79 KDM4A (0.80) KDM4AKDM6BABCC4ABCB11KDM5A
SCHEMBL21232846 0.79 KDM4A (0.76) KDM4AKDM6BABCC4ABCB11KDM5A

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-2964202-B2 ORAL FORMULATIONS OF DEFERASIROX NOVARTIS AG (CH) 2023-05-31 EP disclosed