SCHEMBL9877992

SCHEMBL9877992

CCN(CC)CCCNC(=O)Cn1ncc(-c2ccc(OC)cc2)c1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.51
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.46
TP53 P04637 4/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
GAA P10253 1/20 0.44
GFER P55789 1/20 0.44
CYP3A4 P08684 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 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
Ipazilide SCHEMBL635854 0.92 MAPK1 (0.55) MAPK1KMT2AMEN1TP53GAA
Ipazilide SCHEMBL9877353 0.91 MAPK1 (0.54) MAPK1KMT2AMEN1TP53GAA
SCHEMBL9878032 0.89 MAPK1 (0.51) MAPK1KMT2AMEN1TP53GAA
SCHEMBL9877376 0.89 MAPK1 (0.51) MAPK1KMT2AMEN1TP53GAA
SCHEMBL10556849 0.89 MAPK1 (0.50) MAPK1KMT2AMEN1TP53GAA
SCHEMBL9877916 0.89 MAPK1 (0.50) MAPK1KMT2AMEN1TP53GAA
SCHEMBL9878705 0.89 POLB (0.51) MAPK1KMT2AMEN1TP53GAA
SCHEMBL10358746 0.88 TP53 (0.52) MAPK1KMT2AMEN1TP53GAA
Ipazilide SCHEMBL120490 0.87 MAPK1 (0.51) MAPK1KMT2AMEN1TP53GAA
Ipazilide SCHEMBL120491 0.87 MAPK1 (0.51) MAPK1KMT2AMEN1TP53GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4988725-A Cardiovascular disorders, antiarrhythmia agents STERLING DRUG INC. (US) 1991-01-29 US disclosed
EP-0299407-B1 1H-PYRAZOLE-1-ALKANAMIDES AND PREPARATION USEFUL AS ANTIARRHYTHMIC AGENTS STERLING DRUG INC. (US) 1990-10-24 EP disclosed
EP-0388654-A2 Azole-1-alkanamides as antiarrhythmic agents and preparation thereof STERLING DRUG INC. (US) 1990-09-26 EP disclosed
US-4916150-A 1H-pyrazole-1-alkanamines antiarrhythmic compositions and use STERLING DRUG INC. (US) 1990-04-10 US disclosed
US-4870095-A 1H-pyrazole-1-alkanamides, antiarrhythmic compositions and use STERLING DRUG, INC. (US) 1989-09-26 US disclosed
EP-0299407-A1 1H-pyrazole-1-alkanamides and preparation useful as antiarrhythmic agents STERLING DRUG INC. (US) 1989-01-18 EP disclosed