SCHEMBL7912979

SCHEMBL7912979

N=C(N)NC(=O)c1cc2c(nc1-c1cccnc1)CCCCC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EEF2K O00418 1/20 0.39
CYP11B2 P19099 4/20 0.39
CYP11B1 P15538 1/20 0.38
SLC9A1 P19634 1/20 0.38
MKNK1 Q9BUB5 6/20 0.36
MKNK2 Q9HBH9 6/20 0.36
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 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
SCHEMBL7910258 0.88 SLC9A1 (0.41) EEF2KSLC9A1ALDH1A1MEN1NPC1
SCHEMBL7902995 0.78 SLC9A1 (0.38) EEF2KSLC9A1ALDH1A1NPC1RAB9A
SCHEMBL7902812 0.78 ALDH1A1 (0.39) SLC9A1ALDH1A1MEN1NPC1RAB9A
SCHEMBL7916809 0.77 SLC9A1 (0.45) EEF2KSLC9A1ALDH1A1NPC1RAB9A
SCHEMBL7911271 0.76 KDM4E (0.57) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL7916794 0.75 SLC9A1 (0.61) EEF2KSLC9A1ALDH1A1NPC1RAB9A
SCHEMBL927183 0.75 SLC9A1 (0.45) EEF2KSLC9A1ALDH1A1MEN1NPC1
SCHEMBL927184 0.75 SLC9A1 (0.61) EEF2KSLC9A1ALDH1A1NPC1RAB9A
SCHEMBL7912931 0.74 SLC9A1 (0.59) EEF2KSLC9A1ALDH1A1MEN1NPC1
SCHEMBL926631 0.73 SLC9A1 (0.43) EEF2KSLC9A1ALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6258829-B1 ANTIARRTHMIA AGENTS AND CARDIOVASCULAR DISORDERS TOA EIYO LTD. (JP) 2001-07-10 US disclosed
EP-0972767-A1 CYCLOALKA[b]PYRIDINE-3-CARBONYLGUANIDINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND DRUGS CONTAINING THE SAME TOA EIYO LTD. (JP) 2000-01-19 EP disclosed