SCHEMBL7424137

SCHEMBL7424137

COc1ccc(CCCNCCCN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(Cl)c(Cl)c2)cc1OC

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.66
SMN1; SMN2 Q16637 5/20 0.47
MAPT P10636 5/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 4/20 0.45
MAPK1 P28482 2/20 0.45
HTT P42858 2/20 0.45
ALDH1A1 P00352 2/20 0.45
CDK8 P49336 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
POLB P06746 1/20 0.41

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
Hydrochloric Acid SCHEMBL7358074 0.99 KCNH2 (0.65) KCNH2SMN1; SMN2MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL7333194 0.92 KCNH2 (0.74) KCNH2SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL8632057 0.89 KCNH2 (0.70) KCNH2SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL7424127 0.87 KCNH2 (0.87) KCNH2SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL7332936 0.87 KCNH2 (0.67) KCNH2SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL7333287 0.87 KCNH2 (0.67) KCNH2SMN1; SMN2MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL7358066 0.87 KCNH2 (0.85) KCNH2SMN1; SMN2MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL7334757 0.86 KCNH2 (0.66) KCNH2SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL8832308 0.83 KCNH2 (0.65) KCNH2SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL7356528 0.83 KCNH2 (0.60) KCNH2SMN1; SMN2MAPTMEN1KMT2A

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 2 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 disclosed
WO-1993023024-A1 DIAMINES IN THE TREATMENT OF ARRHYTHMIA SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES (FR) 1993-11-25 WO disclosed