SCHEMBL6646299

SCHEMBL6646299

CC[n+]1c2ccccc2c(C=O)c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 1/20 0.38
ERN1 O75460 3/20 0.38
TDP1 Q9NUW8 2/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 4/20 0.35
LMNA P02545 4/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PRKCA P17252 3/20 0.33
CYP1A2 P05177 2/20 0.33
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
GMNN O75496 1/20 0.33
F2 P00734 1/20 0.33
ESR1 P03372 1/20 0.33
TP53 P04637 1/20 0.33
PGR P06401 1/20 0.33

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
SCHEMBL13952196 0.82 ERN1 (0.48) PADI4ERN1TDP1GAAL3MBTL1
SCHEMBL2026490 0.78 ACHE (0.54) PADI4ERN1ACHE
Iodide SCHEMBL29282706 0.74 PRKCA (0.42) TDP1L3MBTL1ALDH1A1LMNAMEN1
SCHEMBL4670865 0.72 MAPT (0.39) TDP1L3MBTL1ALDH1A1LMNAMEN1
SCHEMBL29588097 0.71 PADI4 (0.64) PADI4ERN1TDP1L3MBTL1ALDH1A1
SCHEMBL986883 0.71 PADI4 (0.64) PADI4ERN1TDP1L3MBTL1ALDH1A1
SCHEMBL11618617 0.69 PADI4 (0.47) PADI4ERN1TDP1GAAL3MBTL1
Iodide SCHEMBL9460922 0.69 PADI4 (0.61) PADI4ERN1TDP1L3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL9397561 0.69 PADI4 (0.61) PADI4ERN1TDP1L3MBTL1ALDH1A1
Bromide SCHEMBL11303999 0.69 PADI4 (0.61) PADI4ERN1TDP1L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1433785-A1 Agents for the coloration of keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2004-06-30 EP claimed
EP-1433785-A1 Agents for the coloration of keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2004-06-30 EP disclosed