SCHEMBL9876977

SCHEMBL9876977

CCN(CC)CCNC(=O)Cn1ncc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
GLA P06280 1/20 0.52
KDM4E B2RXH2 4/20 0.49
CYP2D6 P10635 1/20 0.49
POLB P06746 1/20 0.48
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47
PTGIR P43119 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TP53 P04637 2/20 0.44
CAMK2D Q13557 1/20 0.43
ADRB3 P13945 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 0.93 MAPK1 (0.55) MEN1KMT2AGLAKDM4EPOLB
Ipazilide SCHEMBL9877353 0.92 MAPK1 (0.54) MEN1KMT2AGLAKDM4EPOLB
SCHEMBL10358746 0.89 TP53 (0.52) MEN1KMT2AKDM4EPOLBGAA
SCHEMBL9877376 0.88 MAPK1 (0.51) MEN1KMT2AKDM4EPOLBGAA
Ipazilide SCHEMBL120491 0.88 MAPK1 (0.51) MEN1KMT2AKDM4EPOLBGAA
SCHEMBL9878032 0.88 MAPK1 (0.51) MEN1KMT2AKDM4EPOLBGAA
Ipazilide SCHEMBL120490 0.88 MAPK1 (0.51) MEN1KMT2AKDM4EPOLBGAA
SCHEMBL9878705 0.88 POLB (0.51) MEN1KMT2AKDM4EPOLBGAA
SCHEMBL10556849 0.88 MAPK1 (0.50) MEN1KMT2AGLAKDM4EPOLB
SCHEMBL9877916 0.88 MAPK1 (0.50) MEN1KMT2AKDM4EPOLBGAA

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