SCHEMBL6218459

SCHEMBL6218459

COC(=O)c1ccc[n+](CC(=O)c2c(-c3cccc([N+](=O)[O-])c3)cc3c(C)cccn23)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.42
MAPT P10636 3/20 0.42
KMT2A Q03164 5/20 0.41
RECQL P46063 1/20 0.41
POLB P06746 2/20 0.39
MEN1 O00255 4/20 0.38
GAA P10253 1/20 0.37
SLC6A4 P31645 1/20 0.36
GLA P06280 1/20 0.36
HTT P42858 1/20 0.35
MAPK1 P28482 1/20 0.35

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
Hydrochloric Acid SCHEMBL6215812 0.99 ALDH1A1 (0.42) ALDH1A1MAPTKMT2ARECQLPOLB
SCHEMBL6215452 0.87 ALDH1A1 (0.47) ALDH1A1MAPTKMT2ARECQLPOLB
SCHEMBL6217953 0.87 MAPT (0.46) ALDH1A1MAPTKMT2ARECQLPOLB
Hydrochloric Acid SCHEMBL6216599 0.86 ALDH1A1 (0.48) ALDH1A1MAPTKMT2ARECQLPOLB
Hydrochloric Acid SCHEMBL6212703 0.86 MAPT (0.46) ALDH1A1MAPTKMT2ARECQLPOLB
SCHEMBL6215051 0.83 HTT (0.49) ALDH1A1MAPTRECQLPOLBGAA
Hydrochloric Acid SCHEMBL6212527 0.82 HTT (0.48) ALDH1A1MAPTRECQLGAAGLA
SCHEMBL6217835 0.81 AKR1C3 (0.37) ALDH1A1MAPTKMT2AMEN1GAA
Hydrochloric Acid SCHEMBL6212398 0.81 AKR1C3 (0.37) ALDH1A1MAPTKMT2AMEN1GAA
SCHEMBL6217020 0.79 CYP2C19 (0.42) ALDH1A1MAPTKMT2AMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1129690-B1 Keratin fibre dye compositions containing indolizine cationic derivatives and dyeing method OREAL (FR) 2005-01-05 EP claimed
EP-1129690-A2 Keratin fibre dye compositions containing indolizine cationic derivatives and dyeing method L'OREAL (FR) 2001-09-05 EP claimed
EP-1129690-B1 Keratin fibre dye compositions containing indolizine cationic derivatives and dyeing method OREAL (FR) 2005-01-05 EP disclosed
EP-1129690-A2 Keratin fibre dye compositions containing indolizine cationic derivatives and dyeing method L'OREAL (FR) 2001-09-05 EP disclosed