SCHEMBL7913113

SCHEMBL7913113

Cc1nc2c(cc1C(=O)NC(=N)N)CCCC=C2

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.37
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
Maleic Acid SCHEMBL7916784 0.94 LMNA (0.33) SLC9A1ALDH1A1LMNATP53MAPT
SCHEMBL7916322 0.93 SLC9A1 (0.33) SLC9A1KDM4E
Cadaverine Tartrate SCHEMBL7902842 0.93 SLC9A1 (0.33) SLC9A1
SCHEMBL7913350 0.81 SLC9A1 (0.37) SLC9A1KDM4EALDH1A1LMNATP53
SCHEMBL8136306 0.79 ALDH1A1 (0.38) SLC9A1KDM4EALDH1A1LMNATP53
SCHEMBL7912931 0.79 SLC9A1 (0.59) SLC9A1KDM4EALDH1A1LMNATP53
SCHEMBL7913304 0.79 ACHE (0.42) SLC9A1KDM4EALDH1A1LMNAMAPT
SCHEMBL7916794 0.78 SLC9A1 (0.61) SLC9A1KDM4EALDH1A1LMNATP53
SCHEMBL927184 0.78 SLC9A1 (0.61) SLC9A1KDM4EALDH1A1LMNATP53
SCHEMBL7913231 0.76 SLC9A1 (0.41) SLC9A1KDM4EALDH1A1LMNATP53

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