SCHEMBL9877859

SCHEMBL9877859

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPK1 P28482 2/20 0.46
GAA P10253 1/20 0.46
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.43
SCN1A P35498 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
ACKR3 P25106 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
FGFR1 P11362 1/20 0.41
KDR P35968 1/20 0.41
ATG4B Q9Y4P1 1/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
THRB P10828 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
Ipazilide SCHEMBL635854 0.80 MAPK1 (0.55) MEN1KMT2AMAPK1GAAPOLB
SCHEMBL9877262 0.79 KDM4E (0.48) MEN1KMT2AMAPK1GAAITGB3
Ipazilide SCHEMBL9877353 0.79 MAPK1 (0.54) MEN1KMT2AMAPK1GAAPOLB
SCHEMBL10359075 0.78 MEN1 (0.64) MEN1KMT2AMAPK1GAAPOLB
Water SCHEMBL10510762 0.78 MEN1 (0.63) MEN1KMT2AMAPK1GAAPOLB
SCHEMBL10358746 0.76 TP53 (0.52) MEN1KMT2AMAPK1GAAPOLB
Ipazilide SCHEMBL120491 0.76 MAPK1 (0.51) MEN1KMT2AMAPK1GAAPOLB
SCHEMBL9877376 0.76 MAPK1 (0.51) MEN1KMT2AMAPK1GAAPOLB
SCHEMBL9878032 0.76 MAPK1 (0.51) MEN1KMT2AMAPK1GAAPOLB
Ipazilide SCHEMBL120490 0.76 MAPK1 (0.51) MEN1KMT2AMAPK1GAAPOLB

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 3 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-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