SCHEMBL8310330

SCHEMBL8310330

NCCNCCCN1CCOCC1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
ACE2 Q9BYF1 1/20 0.57
PAOX Q6QHF9 1/20 0.57
HPGD P15428 1/20 0.55
DUSP3 P51452 1/20 0.55
GAA P10253 1/20 0.53
LMNA P02545 2/20 0.51
KDM4E B2RXH2 1/20 0.51
CYP2C19 P33261 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
KDM1A O60341 2/20 0.50
ALDH1A1 P00352 2/20 0.45
MAPK1 P28482 1/20 0.45
HIF1A Q16665 1/20 0.45
RAB9A P51151 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL10151331 0.94 KEAP1 (0.70) KEAP1SMN1; SMN2ACE2PAOXHPGD
SCHEMBL721355 0.92 PAOX (0.64) KEAP1SMN1; SMN2PAOXHPGDDUSP3
SCHEMBL11934970 0.91 SMN1; SMN2 (0.66) KEAP1SMN1; SMN2ACE2PAOXHPGD
SCHEMBL13045709 0.91 SMN1; SMN2 (0.66) KEAP1SMN1; SMN2ACE2PAOXHPGD
SCHEMBL8309741 0.90 ACE2 (0.72) KEAP1SMN1; SMN2ACE2PAOXHPGD
Hydrochloric Acid SCHEMBL2488967 0.90 PAOX (0.62) KEAP1SMN1; SMN2PAOXHPGDDUSP3
SCHEMBL13636974 0.87 SMN1; SMN2 (0.66) KEAP1SMN1; SMN2ACE2PAOXHPGD
SCHEMBL8310938 0.86 KEAP1 (0.64) KEAP1SMN1; SMN2ACE2PAOXHPGD
SCHEMBL4398803 0.85 PAOX (0.62) KEAP1SMN1; SMN2PAOXHPGDDUSP3
SCHEMBL3200520 0.82 PAOX (0.59) KEAP1SMN1; SMN2PAOXHPGDDUSP3

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
WO-2020138979-A1 COMPOUND, GRAPHENE CHANNEL MEMBER AND SENSOR COMPRISING SAME 한국생명공학연구원 2020-07-02 WO disclosed
EP-0790986-B1 ANILINE DERIVATIVES ZENECA LTD (GB) 1999-01-20 EP 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