SCHEMBL8310328

SCHEMBL8310328

[NH]CCNCCCN1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.55
HPGD P15428 1/20 0.53
DUSP3 P51452 1/20 0.53
CYP2C19 P33261 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
KDM1A O60341 2/20 0.49
KEAP1 Q14145 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GAA P10253 2/20 0.47
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 1/20 0.44
HIF1A Q16665 1/20 0.44
RAB9A P51151 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
EPHX1 P07099 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL721355 0.90 PAOX (0.64) PAOXHPGDDUSP3CYP2C19CYP3A4
SCHEMBL8309738 0.88 KDM1A (0.46) PAOXHPGDDUSP3CYP2D6KDM1A
Hydrochloric Acid SCHEMBL2488967 0.88 PAOX (0.62) PAOXHPGDDUSP3CYP2C19CYP3A4
SCHEMBL8310934 0.85 KDM1A (0.48) PAOXHPGDDUSP3CYP2C19CYP3A4
SCHEMBL4398803 0.84 PAOX (0.62) PAOXHPGDDUSP3CYP2C19CYP3A4
SCHEMBL8310330 0.82 KEAP1 (0.67) PAOXHPGDDUSP3CYP2C19CYP3A4
SCHEMBL8310657 0.82 SCN5A (0.46) PAOXKDM1ASMN1; SMN2LMNAMAPK1
SCHEMBL10151331 0.81 KEAP1 (0.70) PAOXHPGDDUSP3CYP2C19CYP3A4
SCHEMBL3200520 0.81 PAOX (0.59) PAOXHPGDDUSP3CYP2C19CYP3A4
SCHEMBL13376034 0.81 PAOX (0.55) PAOXHPGDDUSP3CYP2C19CYP3A4

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-0790986-B1 ANILINE DERIVATIVES ZENECA LTD (GB) 1999-01-20 EP disclosed
US-5821246-A USEFUL AS TYROSINE KINASE INHIBITORS AND FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER ZENECA LIMITED (GB) 1998-10-13 US disclosed
EP-0790986-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1997-08-27 EP disclosed
WO-1996015118-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1996-05-23 WO disclosed