SCHEMBL8640430

SCHEMBL8640430

CCCCCCCCCCCCCCCCCC[N+](CC)(CC)CC.O=S(=O)(O)c1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 4/20 0.42
SCN1A P35498 2/20 0.41
SCN2A Q99250 2/20 0.41
SCN3A Q9NY46 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2C9 P11712 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
SLC2A1 P11166 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 SCHEMBL2641498 0.92 CA9 (0.44) SCN1ASCN2ASCN3ACYP1A2CYP3A4
Dodecane SCHEMBL7645849 0.89 SCN1A (0.49) SCN1ASCN2ASCN3ACYP1A2CYP3A4
SCHEMBL8640427 0.87 DNM1 (0.42) DNM1SCN1ASCN2ASCN3ACYP1A2
1-Hexanol SCHEMBL9420003 0.83 KDM4E (0.45) SCN1ASCN2ASCN3ACYP1A2CYP3A4
SCHEMBL9784996 0.83 SCN1A (0.35) SCN1ASCN2ASCN3ACYP1A2CYP3A4
SCHEMBL1517647 0.82 SCN1A (0.44) SCN1ASCN2ASCN3ACYP1A2CYP3A4
SCHEMBL28667595 0.82 SCN1A (0.44) SCN1ASCN2ASCN3ACYP1A2CYP3A4
SCHEMBL27332793 0.82 SCN1A (0.44) SCN1ASCN2ASCN3ACYP1A2CYP3A4
SCHEMBL28489687 0.82 SLC2A1 (0.51) SCN1ASCN2ASCN3ACYP1A2CYP3A4
SCHEMBL28023918 0.82 SCN1A (0.44) SCN1ASCN2ASCN3ACYP1A2CYP3A4

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-5723250-A Process for image formation using liquid developer FUJI XEROX CO., LTD. (JP) 1998-03-03 US disclosed
US-5622804-A COMPOSITION INCLUDING CARRIER COMPRISING ETHER COMPOUND, CHARGE DIRECTOR, DISPERSED TONER PARTICLES COMPRISING INSOLUBLE THERMOPLASTIC RESIN, COLORANT, CHARGE CONTROL AGENT FUJI XEROX CO., LTD. (JP) 1997-04-22 US disclosed