SCHEMBL17508345

SCHEMBL17508345

CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC.O=S(=O)([O-])C=Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.44
CHRNA10 Q9GZZ6 3/20 0.44
CHRNA9 Q9UGM1 3/20 0.44
EGFR P00533 1/20 0.43
DNM1 Q05193 2/20 0.40
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SLC22A1 O15245 1/20 0.38
HTT P42858 3/20 0.38
LMNA P02545 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
KCNH2 Q12809 1/20 0.38
HIF1A Q16665 1/20 0.38

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
Tetrabuthylammonium SCHEMBL5893075 0.95 EGFR (0.40) CHRNA7CHRNA10CHRNA9EGFRTDP1
SCHEMBL5274180 0.92 DNM1 (0.41) CHRNA7CHRNA10CHRNA9EGFRDNM1
SCHEMBL8685609 0.92 DNM1 (0.48) EGFRDNM1MEN1KMT2ATP53
SCHEMBL9548461 0.92 DNM1 (0.48) EGFRDNM1MEN1KMT2ATP53
SCHEMBL8994548 0.86 DNM1 (0.63) EGFRDNM1MEN1KMT2ATP53
Tetrabuthylammonium SCHEMBL5893078 0.84 EGFR (0.47) CHRNA7CHRNA10CHRNA9EGFRTDP1
Tetrylammonium SCHEMBL9445032 0.83 CYP1A2 (0.45) CHRNA7CHRNA10CHRNA9MEN1KMT2A
SCHEMBL10701791 0.81 ACHE (0.53) EGFRMEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL9517824 0.81 GAA (0.39) EGFRTDP1HTTLMNATSHR
SCHEMBL8685616 0.80 DNM1 (0.48) EGFRDNM1TDP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10586995-B2 Method for the fabrication of homogenous blends of polystyrenesulfonic acid and polyvinylidene fluoride suitable for the application in direct oxidation methanol fuel cells (DMFCs) UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2020-03-10 US disclosed
US-20160049678-A1 New Method for the Fabrication of Homogenous Blends of Polystyrenesulfonic Acid and Polyvinylidene Fluoride Suitable For The Application In Direct Oxidation Methanol Fuel Cells (DMFCs) UNIVERSITY OF SOUTHERN CALIFORNIA 2016-02-18 US disclosed