SCHEMBL8640427

SCHEMBL8640427

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
CYP2C19 P33261 3/20 0.42
KCNH2 Q12809 3/20 0.42
CYP2C9 P11712 2/20 0.42
TSHR P16473 2/20 0.42
LMNA P02545 1/20 0.42
CYP2D6 P10635 1/20 0.42
HTT P42858 1/20 0.42
HIF1A Q16665 1/20 0.42
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
SCN1A P35498 2/20 0.39
SCN2A Q99250 2/20 0.39
SCN3A Q9NY46 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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 SCHEMBL2641496 0.92 CA1 (0.44) CYP2C19CYP2C9TSHRCA1CA2
Octane SCHEMBL11401295 0.87 CA1 (0.47) CYP2C19CYP2C9TSHRCA1CA2
SCHEMBL8640430 0.87 DNM1 (0.42) DNM1CYP2C19CYP2C9TSHRCA1
SCHEMBL9784990 0.82 F2 (0.33) CYP2C19KCNH2CYP2C9TSHRLMNA
SCHEMBL28082394 0.81 CA1 (0.41) CYP2C19CYP2C9TSHRCA1CA2
SCHEMBL330871 0.80 KCNH2 (0.48) DNM1CYP2C19KCNH2CYP2C9TSHR
SCHEMBL331384 0.80 KCNH2 (0.48) DNM1CYP2C19KCNH2CYP2C9TSHR
SCHEMBL8959259 0.79 DNM1 (0.46) DNM1CYP2C19KCNH2CYP2C9TSHR
SCHEMBL8673449 0.79 MEN1 (0.43) CYP2C19KCNH2CYP2C9CA1CA2
SCHEMBL693818 0.79 LIPG (0.43) CYP2C19KCNH2CYP2C9CA1CA2

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