Charcoal, Activated

Charcoal, Activated

SCHEMBL9345982

CCCCc1cccc(C(N)=O)c1CCCC.[C]

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.44
MEN1 O00255 1/20 0.44
NR1I2 O75469 1/20 0.44
LMNA P02545 1/20 0.44
CHRM2 P08172 1/20 0.44
ADRA2A P08913 1/20 0.44
MAPT P10636 1/20 0.44
OPRK1 P41145 1/20 0.44
HTR2B P41595 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
BID P55957 3/20 0.41
MCL1 Q07820 3/20 0.41
BCL2L1 Q07817 2/20 0.41
BAK1 Q16611 2/20 0.41
KAT8 Q9H7Z6 2/20 0.41
PPARA Q07869 2/20 0.41
PPARG P37231 1/20 0.41
EP300 Q09472 1/20 0.41

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
SCHEMBL6285466 0.98 CYP3A4 (0.45) CYP3A4MEN1NR1I2LMNACHRM2
SCHEMBL22736732 0.94 BID (0.48) CYP3A4MEN1NR1I2LMNACHRM2
SCHEMBL28186455 0.92 BID (0.50) CYP3A4MEN1NR1I2LMNACHRM2
SCHEMBL28850518 0.92 BID (0.50) CYP3A4MEN1NR1I2LMNACHRM2
SCHEMBL14688680 0.92 MEN1 (0.45) CYP3A4MEN1NR1I2LMNACHRM2
SCHEMBL27960762 0.89 MEN1 (0.43) CYP3A4MEN1NR1I2LMNACHRM2
SCHEMBL31411999 0.89 MEN1 (0.43) CYP3A4MEN1NR1I2LMNACHRM2
SCHEMBL2972655 0.88 LMNA (0.50) CYP3A4MEN1NR1I2LMNACHRM2
SCHEMBL3645528 0.88 LMNA (0.42) CYP3A4MEN1NR1I2LMNACHRM2
SCHEMBL6919325 0.87 CYP3A4 (0.48) CYP3A4MEN1NR1I2LMNACHRM2

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-5306312-A Dyeing fabric by heating in solution containing dye and aliphatic amide dye diffusion promoter BURLINGTON INDUSTRIES, INC. (US) 1994-04-26 US disclosed