SCHEMBL7916795

SCHEMBL7916795

Cc1nc2c(c(Cl)c1C(=O)NC(=N)N)CCCCC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
ACHE P22303 8/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
CACNB4 O00305 2/20 0.35
CACNA1A O00555 2/20 0.35
CACNA1G O43497 2/20 0.35
CACNG3 O60359 2/20 0.35
CACNA1F O60840 2/20 0.35
CACNA1H O95180 2/20 0.35
CACNB3 P54284 2/20 0.35
CACNA2D1 P54289 2/20 0.35
CACNG7 P62955 2/20 0.35
CACNA1B Q00975 2/20 0.35
CACNA1D Q01668 2/20 0.35
CACNB1 Q02641 2/20 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
SCHEMBL7916819 0.82 ACHE (0.38) KDM4EACHECACNB4CACNA1ACACNA1G
SCHEMBL7911213 0.81 CACNB4 (0.37) KDM4EACHENPSR1CACNB4CACNA1A
SCHEMBL927184 0.70 SLC9A1 (0.61) KDM4EACHESMN1; SMN2NPC1MAPK1
SCHEMBL7916794 0.70 SLC9A1 (0.61) KDM4EACHESMN1; SMN2NPC1MAPK1
SCHEMBL7912931 0.68 SLC9A1 (0.59) KDM4EACHESMN1; SMN2NPC1MAPK1
SCHEMBL7910322 0.68 SLC9A1 (0.43) KDM4EACHESMN1; SMN2NPC1MAPK1
Maleic Acid SCHEMBL7916788 0.65 SLC9A1 (0.54) KDM4EACHESMN1; SMN2NPC1MAPK1
SCHEMBL7911358 0.65 SLC9A1 (0.38) KDM4EACHESMN1; SMN2MAPK1RAB9A
SCHEMBL3987674 0.65 KDM4E (0.49) KDM4EACHESMN1; SMN2NPC1MAPK1
SCHEMBL3988319 0.65 KDM4E (0.49) KDM4EACHESMN1; SMN2NPC1MAPK1

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