SCHEMBL5287730

SCHEMBL5287730

CCCCCCCCCCC[N+](CC)(CC)CC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 6/20 1.00
SLC22A1 O15245 3/20 0.81
ALDH1A1 P00352 1/20 0.77
TP53 P04637 1/20 0.77
CYP3A4 P08684 1/20 0.77
ALOX15 P16050 1/20 0.77
TSHR P16473 1/20 0.77
ALOX12 P18054 1/20 0.77
SMN1; SMN2 Q16637 1/20 0.77
HIF1A Q16665 1/20 0.77
HSD17B10 Q99714 1/20 0.77
SLC22A2 O15244 1/20 0.75
HTT P42858 1/20 0.57
KMT2A Q03164 1/20 0.57

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
SCHEMBL17418374 1.00 DNM1 (1.00) DNM1SLC22A1ALDH1A1TP53CYP3A4
SCHEMBL331847 1.00 DNM1 (1.00) DNM1SLC22A1ALDH1A1TP53CYP3A4
SCHEMBL5304363 1.00 DNM1 (1.00) DNM1SLC22A1ALDH1A1TP53CYP3A4
SCHEMBL1010481 1.00 DNM1 (1.00) DNM1SLC22A1ALDH1A1TP53CYP3A4
SCHEMBL1842974 1.00 DNM1 (1.00) DNM1SLC22A1ALDH1A1TP53CYP3A4
SCHEMBL640740 1.00 DNM1 (1.00) DNM1SLC22A1ALDH1A1TP53CYP3A4
SCHEMBL923926 1.00 DNM1 (1.00) DNM1SLC22A1ALDH1A1TP53CYP3A4
SCHEMBL332106 1.00 DNM1 (1.00) DNM1SLC22A1ALDH1A1TP53CYP3A4
SCHEMBL332945 1.00 DNM1 (1.00) DNM1SLC22A1ALDH1A1TP53CYP3A4
SCHEMBL5300928 1.00 DNM1 (1.00) DNM1SLC22A1ALDH1A1TP53CYP3A4

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
WO-2005094806-A1 USE OF QUATERNARY AMMONIUM COMPOUNDS AS SPECIFIC BLOCKERS OF TRANSPORT THROUGH AQUAPORIN, COMPOSITIONS COMPRISING THE COMPOUNDS AND METHOD OF SELECTING THE COMPOUNDS STICHTING KATHOLIEKE UNIVERSITEIT (NL) 2005-10-13 WO claimed
WO-2007006418-A1 IONIC-LIQUID-CONTAINING PRODUCTS FOR DYEING AND/OR BRIGHTENING KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-01-18 WO disclosed
WO-2006131234-A1 COSMETIC COMPOSITIONS COMPRISING IONIC LIQUIDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-12-14 WO disclosed
WO-2005094806-A1 USE OF QUATERNARY AMMONIUM COMPOUNDS AS SPECIFIC BLOCKERS OF TRANSPORT THROUGH AQUAPORIN, COMPOSITIONS COMPRISING THE COMPOUNDS AND METHOD OF SELECTING THE COMPOUNDS STICHTING KATHOLIEKE UNIVERSITEIT (NL) 2005-10-13 WO disclosed
CN-1015983-B Process for preparing gametocides pyrazoles LILLY CO ELI (US) 1992-03-25 CN disclosed
CN-87102443-A Cametocidal pyrazoles 1987-10-14 CN disclosed