SCHEMBL10445752

SCHEMBL10445752

Nc1c2c(nc(C3CCCCC3O)c1N1CCOCC1)CCCC2

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.40
ALDH1A1 P00352 5/20 0.40
HPGD P15428 2/20 0.40
ACHE P22303 8/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
BPTF Q12830 1/20 0.38
APP P05067 1/20 0.38
BCHE P06276 1/20 0.38
LMNA P02545 1/20 0.37
GAA P10253 2/20 0.34
RXFP1 Q9HBX9 1/20 0.33
HRH4 Q9H3N8 2/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL9770625 0.83 KDM4E (0.43) KDM4EALDH1A1HPGDACHETSHR
SCHEMBL9770499 0.75 KDM4E (0.45) KDM4EALDH1A1HPGDACHETSHR
SCHEMBL9770449 0.65 CTSK (0.49) KDM4EALDH1A1ACHETSHRMAPK1
SCHEMBL21963155 0.62 ACHE (0.55) KDM4EALDH1A1ACHETSHRMAPK1
Ipidacrine SCHEMBL28251 0.59 ACHE (1.00) KDM4EALDH1A1ACHETSHRMAPK1
Ipidacrine SCHEMBL29382648 0.59 ACHE (1.00) KDM4EALDH1A1ACHETSHRMAPK1
SCHEMBL21962904 0.59 ACHE (0.50) KDM4EALDH1A1ACHETSHRMAPK1
SCHEMBL9583264 0.59 ACHE (0.67) KDM4EALDH1A1ACHETSHRMAPK1
Ipidacrine SCHEMBL1032513 0.58 ACHE (0.95) KDM4EALDH1A1ACHETSHRMAPK1
Ipidacrine SCHEMBL7536973 0.58 ACHE (0.95) KDM4EALDH1A1ACHETSHRMAPK1

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-0361489-A2 Novel 3,4-diaminoquinoline and pyridine compounds Chugai Seiyaku Kabushiki Kaisha (JP) 1990-04-04 EP disclosed