Charcoal, Activated

Charcoal, Activated

SCHEMBL9762824

C=CCOC(=O)c1cccnc1.[C]

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.57
TDP1 Q9NUW8 3/20 0.57
KMT2A Q03164 3/20 0.57
L3MBTL1 Q9Y468 1/20 0.56
SNCA P37840 1/20 0.55
ALDH1A1 P00352 6/20 0.54
KDM4E B2RXH2 2/20 0.54
MAPT P10636 3/20 0.52
MAPK1 P28482 1/20 0.52
MEN1 O00255 1/20 0.52
USP2 O75604 1/20 0.52
CYP3A4 P08684 2/20 0.51
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
AGTR1 P30556 1/20 0.49
CYP2C19 P33261 1/20 0.49
GAA P10253 1/20 0.48

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
SCHEMBL503334 0.98 LMNA (0.59) LMNATDP1KMT2AL3MBTL1SNCA
Hydrochloric Acid SCHEMBL27365345 0.97 LMNA (0.57) LMNATDP1KMT2AL3MBTL1SNCA
SCHEMBL21963615 0.88 MAPT (0.63) LMNAKMT2ASNCAALDH1A1KDM4E
SCHEMBL21243068 0.85 LMNA (0.62) LMNATDP1KMT2AL3MBTL1ALDH1A1
SCHEMBL1817895 0.80 KMT2A (0.64) LMNATDP1KMT2AL3MBTL1ALDH1A1
SCHEMBL25009812 0.80 L3MBTL1 (0.76) LMNATDP1KMT2AL3MBTL1ALDH1A1
SCHEMBL30556174 0.80 L3MBTL1 (0.76) LMNATDP1KMT2AL3MBTL1ALDH1A1
SCHEMBL11524023 0.79 L3MBTL1 (0.61) LMNATDP1KMT2AL3MBTL1ALDH1A1
SCHEMBL21946333 0.79 KMT2A (0.51) LMNATDP1KMT2AL3MBTL1ALDH1A1
SCHEMBL14741028 0.78 LMNA (0.66) LMNATDP1KMT2AL3MBTL1ALDH1A1

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-5043162-A Mixture of lower alkyl nicotinate and histamine hydrochloride TRAGER SEYMOUR F (US) 1991-08-27 US claimed