SCHEMBL7425124

SCHEMBL7425124

COc1cc(N(CCCN(CCc2ccc(OC)c(OC)c2)S(C)(=O)=O)C(=O)c2ccc([N+](=O)[O-])cc2)ccc1O

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.73
MAPT P10636 5/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 3/20 0.42
THRB P10828 1/20 0.41
APEX1 P27695 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 3/20 0.40
HTT P42858 2/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
BMP1 P13497 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
SCHEMBL7334434 0.89 KCNH2 (0.91) KCNH2MAPTKMT2ASMN1; SMN2MEN1
SCHEMBL8632057 0.85 KCNH2 (0.70) KCNH2MAPTKMT2ASMN1; SMN2MEN1
SCHEMBL30357973 0.84 KCNH2 (1.00) KCNH2MAPTKMT2ASMN1; SMN2MEN1
SCHEMBL7326893 0.84 KCNH2 (0.79) KCNH2MAPTKMT2ASMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL7333187 0.84 KCNH2 (0.98) KCNH2MAPTKMT2ASMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL678425 0.83 KCNH2 (0.96) KCNH2MAPTKMT2ASMN1; SMN2MEN1
SCHEMBL7334691 0.81 KCNH2 (0.76) KCNH2MAPTKMT2ASMN1; SMN2MEN1
SCHEMBL7324517 0.80 KCNH2 (0.75) KCNH2MAPTKMT2ASMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL7333194 0.79 KCNH2 (0.74) KCNH2MAPTKMT2ASMN1; SMN2MEN1
SCHEMBL7332923 0.79 KCNH2 (0.88) KCNH2MAPTKMT2ASMN1; SMN2MEN1

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