SCHEMBL7910258

SCHEMBL7910258

N=C(N)NC(=O)c1cc2c(nc1-c1ccccc1)CCCCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
MAPT P10636 6/20 0.41
ALDH1A1 P00352 6/20 0.41
LMNA P02545 4/20 0.41
MAPK1 P28482 3/20 0.41
TP53 P04637 2/20 0.41
HTT P42858 1/20 0.41
POLB P06746 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 3/20 0.36
HSP90AA1 P07900 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
EEF2K O00418 1/20 0.36
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
GAA P10253 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
SCHEMBL7912979 0.88 EEF2K (0.39) SLC9A1ALDH1A1LMNAMAPK1HTT
SCHEMBL7902995 0.82 SLC9A1 (0.38) SLC9A1SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL11648888 0.80 SMN1; SMN2 (0.49) SLC9A1SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL7916794 0.79 SLC9A1 (0.61) SLC9A1SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL927183 0.79 SLC9A1 (0.45) SLC9A1SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL927184 0.79 SLC9A1 (0.61) SLC9A1SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL7916809 0.79 SLC9A1 (0.45) SLC9A1SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL7912931 0.78 SLC9A1 (0.59) SLC9A1SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL926631 0.77 SLC9A1 (0.43) SLC9A1SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL7913104 0.76 KDM4E (0.45) SLC9A1SMN1; SMN2MAPTALDH1A1LMNA

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