SCHEMBL10996712

SCHEMBL10996712

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

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 2/20 0.63
▸ MEN1 O00255 1/20 0.63
▸ CYP1A2 P05177 1/20 0.63
▸ CYP2C19 P33261 1/20 0.63
▸ KMT2A Q03164 1/20 0.63
▸ TERT O14746 1/20 0.62

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
SCHEMBL2196672 0.91 CHRM2 (0.75) CHRM2MEN1CYP1A2CYP2C19KMT2A
SCHEMBL9146038 0.88 CHRM2 (0.67) CHRM2MEN1CYP1A2CYP2C19KMT2A
SCHEMBL9151817 0.81 CHRM2 (0.58) CHRM2MEN1CYP1A2CYP2C19KMT2A
SCHEMBL2364432 0.80 TERT (0.72) CHRM2MEN1CYP1A2CYP2C19KMT2A
SCHEMBL13073061 0.78 CHRM2 (1.00) CHRM2MEN1CYP1A2CYP2C19KMT2A
SCHEMBL26378291 0.77 TERT (1.00) CHRM2MEN1CYP1A2CYP2C19KMT2A
SCHEMBL17265030 0.77 CHRM2 (0.64) CHRM2MEN1CYP1A2CYP2C19KMT2A
SCHEMBL2188395 0.76 CHRM2 (0.69) CHRM2MEN1CYP1A2CYP2C19KMT2A
Bromide SCHEMBL3989856 0.76 CHRM2 (1.00) CHRM2MEN1CYP1A2CYP2C19KMT2A
SCHEMBL12802779 0.76 CHRM2 (0.79) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4493883-A Electrophotographic toner compositions containing novel imide charge control _additives XEROX CORPORATION (US) 1985-01-15 — — US disclosed
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