SCHEMBL7293267

SCHEMBL7293267

NCCCNCCNC(=O)c1nc(Cl)c(N)nc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCNN1A P37088 14/20 0.44
GRM5 P41594 1/20 0.41
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 4/20 0.40
GLA P06280 4/20 0.40
HPGD P15428 4/20 0.40
HSD17B10 Q99714 4/20 0.40
GAA P10253 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
FTO Q9C0B1 2/20 0.40
NPC1 O15118 2/20 0.40
BLM P54132 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 1/20 0.40
NFKB1 P19838 1/20 0.40
THPO P40225 1/20 0.40
HIF1A Q16665 1/20 0.40
SLC22A1 O15245 1/20 0.40

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
Hydrochloric Acid SCHEMBL10334228 0.99 SCNN1A (0.43) SCNN1AGRM5ALDH1A1KDM4EGLA
SCHEMBL1429125 0.95 SCNN1A (0.44) SCNN1AGRM5ALDH1A1KDM4EGLA
SCHEMBL10461284 0.87 SCNN1A (0.39) SCNN1AGRM5ALDH1A1KDM4EGLA
SCHEMBL27834090 0.86 SCNN1A (0.47) SCNN1AGRM5ALDH1A1KDM4EGLA
SCHEMBL1429031 0.85 SCNN1A (0.50) SCNN1AGRM5ALDH1A1KDM4EGLA
SCHEMBL10463198 0.84 SCNN1A (0.41) SCNN1AGRM5ALDH1A1KDM4EGLA
SCHEMBL10333871 0.83 PLAU (0.40) ALDH1A1KDM4EHSD17B10BLMPLAU
SCHEMBL10462678 0.83 SCNN1A (0.41) SCNN1AGRM5ALDH1A1KDM4EGLA
SCHEMBL1441745 0.80 SCNN1A (0.48) SCNN1AGRM5ALDH1A1KDM4EGLA
SCHEMBL10463201 0.78 PLAU (0.46) SCNN1AGRM5ALDH1A1KDM4EGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4980352-A HYPOTENSIVE AGENTS; POTASSIUM-CONSERVING ICI AMERICAS INC. (US) 1990-12-25 US disclosed
US-4952583-A DIURETIC HYPOTENSIVE AGENTS ICI AMERICAS INC. (US) 1990-08-28 US disclosed
US-4910202-A Hypotensive agent, inducing eukalemic duiresis in mammals ICI AMERICAS INC. (US) 1990-03-20 US disclosed
EP-0343865-A1 Bicyclic compounds ICI AMERICAS INC. (US) 1989-11-29 EP disclosed
EP-0343866-A1 Aminophenol derivatives ICI AMERICAS INC. (US) 1989-11-29 EP disclosed
EP-0293170-A1 Aminomethylphenolic pyrazines, their preparation and use ICI AMERICAS INC. (US) 1988-11-30 EP disclosed