SCHEMBL12876270

SCHEMBL12876270

Cc1ccc(C(=O)N(CCCCC[N+](C)(C(C)C)C(C)C)c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
ADRB2 P07550 1/20 0.48
ADRA2C P18825 1/20 0.48
PKM P14618 1/20 0.44
NPC1 O15118 1/20 0.42
JAK2 O60674 1/20 0.42
RAB9A P51151 1/20 0.42
PAX8 Q06710 1/20 0.42
MAPT P10636 1/20 0.41
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40
HDAC6 Q9UBN7 3/20 0.40
MLYCD O95822 1/20 0.39
PTGIR P43119 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
GAA P10253 2/20 0.38
HPGD P15428 1/20 0.38
LMNA P02545 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
SCHEMBL12876027 0.84 ADRA2C (0.51) ALDH1A1ADRB2ADRA2CPKMNPC1
SCHEMBL12875979 0.83 ADRA2C (0.50) ALDH1A1ADRB2ADRA2CPKMNPC1
SCHEMBL12876177 0.78 ADRA2C (0.52) ALDH1A1ADRB2ADRA2CPKMNPC1
SCHEMBL1928093 0.75 PKM (0.54) ALDH1A1ADRB2ADRA2CPKMNPC1
SCHEMBL15291404 0.72 ADRA2C (0.67) ALDH1A1ADRB2ADRA2CNPC1JAK2
SCHEMBL14865903 0.72 PKM (0.52) ALDH1A1ADRA2CPKMNPC1RAB9A
SCHEMBL9809224 0.72 HPGD (0.66) ALDH1A1PKMTP53MEN1KMT2A
SCHEMBL14087384 0.70 ADRA2C (0.59) ALDH1A1ADRB2ADRA2CNPC1RAB9A
SCHEMBL6569544 0.70 PKM (0.56) ALDH1A1ADRA2CPKMNPC1RAB9A
SCHEMBL16285228 0.70 HPGD (0.50) ALDH1A1ADRA2CPKMNPC1RAB9A

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-20110033203-A1 TONER, METHOD FOR MANUFACTURING THE TONER, DEVELOPER INCLUDING THE TONER, CONTAINER CONTAINING THE TONER, AND IMAGE FORMING METHOD AND APPARATUS AND PROCESS CARTRIDGE USING THE TONER WATANABE YOHICHIROH 2011-02-10 US disclosed