SCHEMBL9877869

SCHEMBL9877869

CCN(CC)CCCNC(=O)C(OC(=O)/C=C/C(=O)O)n1ncc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 1/20 0.40
LMNA P02545 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.37
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
SCN1A P35498 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
CYP2D6 P10635 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
POLB P06746 2/20 0.35
ATM Q13315 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL9877262 0.82 KDM4E (0.48) ALDH1A1MAPK1LMNAMEN1KMT2A
Ipazilide SCHEMBL120491 0.77 MAPK1 (0.51) ALDH1A1MAPK1MEN1KMT2AGAA
Ipazilide SCHEMBL120490 0.77 MAPK1 (0.51) ALDH1A1MAPK1MEN1KMT2AGAA
Ipazilide SCHEMBL635854 0.71 MAPK1 (0.55) ALDH1A1MAPK1MEN1KMT2AGAA
SCHEMBL9877859 0.71 MEN1 (0.46) ALDH1A1MAPK1LMNAMEN1KMT2A
Ipazilide SCHEMBL9877353 0.70 MAPK1 (0.54) ALDH1A1MAPK1MEN1KMT2AGAA
SCHEMBL10434561 0.70 SCN1A (0.38) ALDH1A1MAPK1SMN1; SMN2ITGB3ITGA2B
SCHEMBL10359075 0.70 MEN1 (0.64) MAPK1MEN1KMT2AGAAKDM4E
Water SCHEMBL10510762 0.69 MEN1 (0.63) MAPK1MEN1KMT2AGAAKDM4E
SCHEMBL10358746 0.68 TP53 (0.52) ALDH1A1MAPK1MEN1KMT2AGAA

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-0392160-A1 Azole-1-alkanamides as antiarrhythmic agents and preparation thereof STERLING DRUG INC. (US) 1990-10-17 EP disclosed
US-4962120-A ANTIARRHYTHMIA AGENTS STERLING DRUG INC. (US) 1990-10-09 US 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-4898880-A N-(heterocycle)alkyl)-1H-pyrazole-1-alkanamides as antiarrhythmic agents, compositions and use STERLING DRUG INC. (US) 1990-02-06 US disclosed