SCHEMBL14217543

SCHEMBL14217543

CC(O)OCCCCCCNC(=N)NC(=O)c1nc(Cl)c(N)nc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCNN1A P37088 18/20 0.43
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
NFKB1 P19838 2/20 0.38
THPO P40225 2/20 0.38
HIF1A Q16665 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GMNN O75496 2/20 0.38
PMP22 Q01453 2/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
STAT6 P42226 1/20 0.38
RECQL P46063 1/20 0.38
NPC1 O15118 2/20 0.37
GLA P06280 2/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL14088094 0.88 SCNN1A (0.47) SCNN1AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL14217510 0.88 SCNN1A (0.47) SCNN1AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL13165922 0.87 SCNN1A (0.51) SCNN1AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL13090587 0.86 SCNN1A (0.42) SCNN1AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL14088104 0.85 SCNN1A (0.47) SCNN1AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL13090594 0.85 SCNN1A (0.47) SCNN1AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL13090593 0.85 SCNN1A (0.47) SCNN1AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL13090591 0.85 SCNN1A (0.47) SCNN1AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL13090585 0.85 SCNN1A (0.47) SCNN1AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL13090600 0.85 SCNN1A (0.47) SCNN1AALDH1A1KDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7375107-B2 Such as N-(6-aminohexyl)-N'-(3,5-diamino-6-chloropyrazine-2-carbonyl)guanidine Dihydrochloride; for hydration of mucosal surfaces, treating chronic bronchitis, cystic fibrosis, sinusitis, vaginal dryness, dry eye, esophogitis, emphysema, and pneumonia PARION SCIENCES, INC. (US) 2008-05-20 US disclosed