SCHEMBL6364751

SCHEMBL6364751

CCCCCCCCCCCCC[N+](CCCCCCCCCCCC)(CCCCCCCCCCCC)CCCCCCCCCCCC.Clc1ccc([B-](c2ccc(Cl)cc2)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.58
SLC22A1 O15245 2/20 0.48
TSHR P16473 2/20 0.46
HIF1A Q16665 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SLC22A2 O15244 1/20 0.44
DNM1 Q05193 4/20 0.43
LMNA P02545 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL15537163 1.00 KCNH2 (0.58) KCNH2SLC22A1TSHRHIF1AALDH1A1
Tetrahexylammonium SCHEMBL5052852 1.00 KCNH2 (0.58) KCNH2SLC22A1TSHRHIF1AALDH1A1
SCHEMBL701872 1.00 KCNH2 (0.58) KCNH2SLC22A1TSHRHIF1AALDH1A1
SCHEMBL15537986 1.00 KCNH2 (0.58) KCNH2SLC22A1TSHRHIF1AALDH1A1
Tetrabuthylammonium SCHEMBL15537506 0.94 KCNH2 (0.51) KCNH2SLC22A1TSHRHIF1AALDH1A1
SCHEMBL15539393 0.89 KCNH2 (0.47) KCNH2TP53SMN1; SMN2DNM1HTT
SCHEMBL8569205 0.83 SLC22A1 (0.50) KCNH2SLC22A1TSHRHIF1AALDH1A1
SCHEMBL15538787 0.81 PSMD14 (0.51) KCNH2SLC22A1TSHRHIF1AALDH1A1
SCHEMBL15537740 0.81 PSMD14 (0.51) KCNH2SLC22A1TSHRHIF1AALDH1A1
SCHEMBL15538817 0.81 SLC22A1 (0.52) KCNH2SLC22A1TSHRHIF1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050006237-A1 Ion-selective solid-state polymeric membrane electrondes REGENTS OF THE UNIVERSITY OF MICHIGAN 2005-01-13 US disclosed
EP-1287345-A2 ION-SELECTIVE SOLID-STATE POLYMERIC MEMBRANE ELECTRODES MEDTRONIC, INC. (US) 2003-03-05 EP disclosed
WO-2001088520-A2 ION-SELECTIVE SOLID-STATE POLYMERIC MEMBRANE ELECTRODES MEDTRONIC, INC. (US) 2001-11-22 WO disclosed