SCHEMBL9151027

SCHEMBL9151027

CCCCCCCCCCCCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O.F[B-](F)(F)F

nearest known ligand 0.89

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 2/20 0.78
▸ MEN1 O00255 1/20 0.78
▸ CYP1A2 P05177 1/20 0.78
▸ CYP2C19 P33261 1/20 0.78
▸ KMT2A Q03164 1/20 0.78

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
Bromide SCHEMBL9147626 0.93 CHRM2 (0.88) CHRM2MEN1CYP1A2CYP2C19KMT2A
SCHEMBL13073061 0.89 CHRM2 (1.00) CHRM2MEN1CYP1A2CYP2C19KMT2A
Bromide SCHEMBL3989856 0.87 CHRM2 (1.00) CHRM2MEN1CYP1A2CYP2C19KMT2A
SCHEMBL9146038 0.83 CHRM2 (0.67) CHRM2MEN1CYP1A2CYP2C19KMT2A
SCHEMBL9504553 0.82 CHRM2 (0.66) CHRM2MEN1CYP1A2CYP2C19KMT2A
Bromide SCHEMBL10429059 0.82 KDM4E (0.90) CHRM2KMT2A
SCHEMBL12802521 0.81 CHRM2 (0.79) CHRM2MEN1CYP1A2CYP2C19KMT2A
SCHEMBL12802779 0.81 CHRM2 (0.79) CHRM2MEN1CYP1A2CYP2C19KMT2A
SCHEMBL9878244 0.81 CHRM2 (0.64) CHRM2MEN1CYP1A2CYP2C19KMT2A
SCHEMBL23731163 0.81 CES1 (0.68) CHRM2MEN1CYP1A2CYP2C19KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5427884-A Toner is a quaternary ammonium salt and,or a organonitrogen polymer MINOLTA CAMERA KABUSHIKI KAISHA (JP) 1995-06-27 — — US disclosed
EP-0154740-B1 TONER COMPOSITIONS XEROX CORPORATION (US) 1988-02-03 — — EP disclosed
EP-0154740-A1 Toner compositions XEROX CORPORATION (US) 1985-09-18 — — EP disclosed
US-4493883-A Electrophotographic toner compositions containing novel imide charge control _additives XEROX CORPORATION (US) 1985-01-15 — — US disclosed
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