SCHEMBL8632057

SCHEMBL8632057

COc1cc(N(CCCNCCCc2ccc(OC)c(OC)c2)C(=O)c2ccc([N+](=O)[O-])cc2)ccc1O

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.70
MAPT P10636 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
MAPK1 P28482 1/20 0.45
CDC25C P30307 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
Hydrochloric Acid SCHEMBL7333194 0.95 KCNH2 (0.74) KCNH2MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL7332936 0.90 KCNH2 (0.67) KCNH2MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL7333287 0.89 KCNH2 (0.67) KCNH2MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL7424137 0.89 KCNH2 (0.66) KCNH2MAPTSMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL7334757 0.89 KCNH2 (0.66) KCNH2MAPTSMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL7358074 0.88 KCNH2 (0.65) KCNH2MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL7334434 0.87 KCNH2 (0.91) KCNH2MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL7356528 0.85 KCNH2 (0.60) KCNH2MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL7425124 0.85 KCNH2 (0.73) KCNH2MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL7327022 0.85 KCNH2 (0.56) KCNH2MAPTSMN1; SMN2MEN1KMT2A

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
EP-0852142-A1 Diamines in the treatment of arrhythmia SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES (FR) 1998-07-08 EP disclosed