SCHEMBL7916809

SCHEMBL7916809

N=C(N)NC(=O)c1cc2c(nc1Cl)CCCCC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.45
SMN1; SMN2 Q16637 9/20 0.40
KDM4E B2RXH2 5/20 0.40
NPC1 O15118 6/20 0.39
RAB9A P51151 6/20 0.39
ALDH1A1 P00352 6/20 0.39
POLB P06746 3/20 0.39
EEF2K O00418 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 6/20 0.37
LMNA P02545 2/20 0.37
MAPK1 P28482 2/20 0.37
HSP90AA1 P07900 1/20 0.37
TP53 P04637 3/20 0.34
HTT P42858 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
GRM1 Q13255 1/20 0.34
PPARG P37231 1/20 0.34

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
SCHEMBL7916794 0.84 SLC9A1 (0.61) SLC9A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL927183 0.84 SLC9A1 (0.45) SLC9A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL927184 0.84 SLC9A1 (0.61) SLC9A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL7912931 0.83 SLC9A1 (0.59) SLC9A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL926631 0.82 SLC9A1 (0.43) SLC9A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL7913003 0.81 SLC9A1 (0.43) SLC9A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL7913104 0.81 KDM4E (0.45) SLC9A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL7902791 0.81 SLC9A1 (0.45) SLC9A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL7902925 0.81 SLC9A1 (0.45) SLC9A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL7916722 0.81 SLC9A1 (0.45) SLC9A1SMN1; SMN2KDM4ENPC1RAB9A

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