SCHEMBL6332960

SCHEMBL6332960

CC[n+]1c(C)ccc2ccccc21.F[B-](F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 4/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
MEN1 O00255 9/20 0.41
KMT2A Q03164 9/20 0.41
RAB9A P51151 6/20 0.41
ATM Q13315 2/20 0.41
POLB P06746 6/20 0.40
HTT P42858 5/20 0.40
LMNA P02545 5/20 0.40
SLC22A3 O75751 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
BLM P54132 3/20 0.40
SLC22A2 O15244 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
PPARG P37231 1/20 0.40
NCOA2 Q15596 1/20 0.40
NCOA1 Q15788 1/20 0.40

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
SCHEMBL1049882 0.93 KDM4E (0.53) ALDH1A1KDM4EGAAHPGDMEN1
Iodide SCHEMBL29227333 0.91 KDM4E (0.51) ALDH1A1KDM4EGAAHPGDMEN1
Iodide SCHEMBL82245 0.91 ALDH1A1 (0.51) ALDH1A1KDM4EGAAHPGDMEN1
Hydrochloric Acid SCHEMBL6333076 0.91 KDM4E (0.51) ALDH1A1KDM4EGAAHPGDMEN1
SCHEMBL8987999 0.85 ALDH1A1 (0.48) ALDH1A1KDM4EGAAHPGDMEN1
SCHEMBL4625061 0.81 MEN1 (0.40) ALDH1A1KDM4EGAAHPGDMEN1
SCHEMBL9935123 0.79 ALDH1A1 (0.54) ALDH1A1KDM4EGAAHPGDMEN1
SCHEMBL31426897 0.78 MEN1 (0.61) ALDH1A1KDM4EGAAHPGDMEN1
SCHEMBL13154142 0.78 MEN1 (0.61) ALDH1A1KDM4EGAAHPGDMEN1
SCHEMBL6335403 0.78 KDM4E (0.58) ALDH1A1KDM4EGAAHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6635090-B1 Dyeing method using a specific cationic derivative and a compound selected among a specific aldehyde, a specific ketone, a quinone and a di-imino-isoindoline or 3-amino-isoindolone derivative L'OREAL, S.A. (FR) 2003-10-21 US claimed
US-6977001-B2 Dye compositions containing quinolinium salts WELLA AG (DE) 2005-12-20 US disclosed
US-6635090-B1 Dyeing method using a specific cationic derivative and a compound selected among a specific aldehyde, a specific ketone, a quinone and a di-imino-isoindoline or 3-amino-isoindolone derivative L'OREAL, S.A. (FR) 2003-10-21 US disclosed
US-20030177592-A1 Dye compositions containing quinolinium salts HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2003-09-25 US disclosed
EP-1346719-A1 Dyeing compositions containing quinolinium salts Wella Aktiengesellschaft (DE) 2003-09-24 EP disclosed