SCHEMBL9877262

SCHEMBL9877262

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
LMNA P02545 1/20 0.46
POLB P06746 3/20 0.45
ATM Q13315 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPK1 P28482 1/20 0.45
GAA P10253 1/20 0.45
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SCN1A P35498 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
CYP2D6 P10635 1/20 0.40
TP53 P04637 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
SCHEMBL9877869 0.82 ALDH1A1 (0.41) KDM4EALDH1A1SMN1; SMN2LMNAPOLB
Ipazilide SCHEMBL635854 0.79 MAPK1 (0.55) KDM4EALDH1A1POLBMEN1KMT2A
SCHEMBL9877859 0.79 MEN1 (0.46) KDM4EALDH1A1LMNAPOLBMEN1
SCHEMBL9876896 0.78 MEN1 (0.47) KDM4EALDH1A1SMN1; SMN2LMNAPOLB
Ipazilide SCHEMBL9877353 0.78 MAPK1 (0.54) KDM4EALDH1A1POLBMEN1KMT2A
SCHEMBL10359075 0.77 MEN1 (0.64) KDM4ESMN1; SMN2POLBMEN1KMT2A
Water SCHEMBL10510762 0.77 MEN1 (0.63) KDM4ESMN1; SMN2POLBMEN1KMT2A
SCHEMBL10358746 0.75 TP53 (0.52) KDM4EALDH1A1POLBMEN1KMT2A
Ipazilide SCHEMBL120491 0.75 MAPK1 (0.51) KDM4EALDH1A1POLBMEN1KMT2A
Ipazilide SCHEMBL120490 0.75 MAPK1 (0.51) KDM4EALDH1A1POLBMEN1KMT2A

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 5 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 claimed
EP-0388654-A2 Azole-1-alkanamides as antiarrhythmic agents and preparation thereof STERLING DRUG INC. (US) 1990-09-26 EP claimed
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