SCHEMBL7326893

SCHEMBL7326893

COc1ccc(CCN(CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(OC)c(OC)c2)C(C)C)cc1OC

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.79
SMN1; SMN2 Q16637 4/20 0.45
MAPT P10636 3/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
LMNA P02545 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 1/20 0.42
THRB P10828 1/20 0.42
APEX1 P27695 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ACHE P22303 2/20 0.40
BCHE P06276 1/20 0.40
CDC25C P30307 2/20 0.40
GAA P10253 1/20 0.40
ATM Q13315 1/20 0.40
POLB P06746 1/20 0.40
HTT P42858 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
SCHEMBL30357973 0.88 KCNH2 (1.00) KCNH2SMN1; SMN2MAPTKMT2AMEN1
Hydrochloric Acid SCHEMBL7333187 0.87 KCNH2 (0.98) KCNH2SMN1; SMN2MAPTKMT2AMEN1
Hydrochloric Acid SCHEMBL678425 0.86 KCNH2 (0.96) KCNH2SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL7333280 0.85 KCNH2 (0.87) KCNH2SMN1; SMN2MAPTKMT2AMEN1
Hydrochloric Acid SCHEMBL8634295 0.85 KCNH2 (0.85) KCNH2SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL7334691 0.84 KCNH2 (0.76) KCNH2SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL7334434 0.84 KCNH2 (0.91) KCNH2SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL7425124 0.84 KCNH2 (0.73) KCNH2SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL7324517 0.83 KCNH2 (0.75) KCNH2SMN1; SMN2MAPTKMT2AMEN1
Hydrochloric Acid SCHEMBL7333194 0.83 KCNH2 (0.74) KCNH2SMN1; SMN2MAPTKMT2AMEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0639973-A1 DIAMINES IN THE TREATMENT OF ARRHYTHMIA SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES (FR) 1995-03-01 EP claimed
WO-1993023024-A1 DIAMINES IN THE TREATMENT OF ARRHYTHMIA SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES (FR) 1993-11-25 WO claimed
EP-0852142-A1 Diamines in the treatment of arrhythmia SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES (FR) 1998-07-08 EP disclosed
EP-0639973-A1 DIAMINES IN THE TREATMENT OF ARRHYTHMIA SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES (FR) 1995-03-01 EP disclosed
WO-1993023024-A1 DIAMINES IN THE TREATMENT OF ARRHYTHMIA SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES (FR) 1993-11-25 WO disclosed