SCHEMBL8104871

SCHEMBL8104871

C1CCN(CCC[N]N(CCN2CCOCC2)NCCCN2CCOCC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.40
DUSP3 P51452 1/20 0.40
GAA P10253 2/20 0.38
EPHX1 P07099 1/20 0.38
MAPK1 P28482 1/20 0.37
HIF1A Q16665 1/20 0.37
RAB9A P51151 1/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
KEAP1 Q14145 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HRH3 Q9Y5N1 3/20 0.35
ALDH1A1 P00352 2/20 0.35
PAOX Q6QHF9 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
PIM1 P11309 1/20 0.33
PKM P14618 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
SCHEMBL8095285 0.74 HRH3 (0.39) MAPK1LMNAKDM4ESMN1; SMN2HRH3
SCHEMBL30596603 0.70 SMN1; SMN2 (0.60) HPGDDUSP3GAAEPHX1MAPK1
SCHEMBL5897314 0.69 HPGD (0.47) HPGDDUSP3GAAEPHX1MAPK1
SCHEMBL22048302 0.68 HRH3 (0.71) HPGDDUSP3MAPK1KDM4EKEAP1
SCHEMBL17377315 0.68 KEAP1 (0.62) HPGDDUSP3KDM4EKEAP1SMN1; SMN2
SCHEMBL4042395 0.68 KEAP1 (0.62) HPGDDUSP3GAAMAPK1KDM4E
SCHEMBL12937 0.68 ALDH1A1 (0.54) HPGDDUSP3KDM4EKEAP1SMN1; SMN2
SCHEMBL27494341 0.68 HPGD (0.53) HPGDDUSP3GAAMAPK1HIF1A
SCHEMBL7161429 0.66 PAOX (0.54) HPGDDUSP3GAAEPHX1MAPK1
SCHEMBL8560572 0.66 HRH3 (0.46) HPGDDUSP3GAAEPHX1MAPK1

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
US-6015814-A Quinazoline derivative ZENECA LIMITED (GB) 2000-01-18 US disclosed