SCHEMBL17023004

SCHEMBL17023004

CCCC[N+](CCCC)(CCCC)CCC(C)(C)N(Cl)Cl

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC22A1 O15245 3/20 0.50
SLC22A2 O15244 1/20 0.44
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
ALOX12 P18054 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
DNM1 Q05193 6/20 0.38
APAF1 O14727 1/20 0.32
HSP90AA1 P07900 1/20 0.32
RAD52 P43351 1/20 0.32

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 SCHEMBL3246931 0.98 SLC22A1 (0.48) SLC22A1SLC22A2ALDH1A1TP53CYP3A4
SCHEMBL12852567 0.82 DNM1 (0.32) SLC22A1DNM1
SCHEMBL12852740 0.82 DNM1 (0.46) SLC22A1DNM1HSP90AA1RAD52
SCHEMBL17022996 0.81 SLC22A1 (0.46) SLC22A1SLC22A2ALDH1A1TP53CYP3A4
Hydrochloric Acid SCHEMBL3246735 0.80 PLA2G1B (0.31) SLC22A1DNM1HSP90AA1RAD52
Hydrochloric Acid SCHEMBL3249351 0.80 DNM1 (0.45) SLC22A1DNM1HSP90AA1RAD52
Hydrochloric Acid SCHEMBL3252518 0.79 SLC22A1 (0.44) SLC22A1SLC22A2ALDH1A1TP53CYP3A4
SCHEMBL12852759 0.79 HTT (0.56) SMN1; SMN2DNM1HSP90AA1RAD52
SCHEMBL13355841 0.79 HTT (0.56) SMN1; SMN2DNM1HSP90AA1RAD52
SCHEMBL12852760 0.79 HTT (0.56) SMN1; SMN2DNM1HSP90AA1RAD52

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
EP-2341886-B1 ANTIMICROBIAL N-CHLORINATED COMPOSITIONS NOVABAY PHARMACEUTICALS INC (US) 2015-08-26 EP claimed