SCHEMBL6947631

SCHEMBL6947631

C[N+](C)(C)CCCN(CCC[N+](C)(C)C)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CRHBP P24387 2/20 0.42
CRHR2 Q13324 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
TLR9 Q9NR96 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
PHLPP2 Q6ZVD8 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ACHE P22303 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MMP14 P50281 1/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39

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
SCHEMBL7167965 0.89 MAPT (0.42) MAPTALDH1A1MEN1KMT2AACHE
SCHEMBL7167968 0.88 MAPT (0.41) MAPTALDH1A1MEN1KMT2AMMP14
SCHEMBL5835749 0.81 MAPT (0.73) MAPTALDH1A1L3MBTL1CRHBPCRHR2
SCHEMBL6941718 0.80 MAPT (0.57) MAPTALDH1A1L3MBTL1CRHBPCRHR2
SCHEMBL3691462 0.79 MAPT (0.64) MAPTALDH1A1L3MBTL1CRHBPCRHR2
SCHEMBL3979891 0.79 MAPT (0.64) MAPTALDH1A1L3MBTL1CRHBPCRHR2
SCHEMBL8119079 0.79 MAPT (0.64) MAPTALDH1A1L3MBTL1CRHBPCRHR2
SCHEMBL5692166 0.78 MAPT (0.62) MAPTALDH1A1L3MBTL1CRHBPCRHR2
SCHEMBL4717364 0.76 MAPT (0.56) MAPTALDH1A1L3MBTL1CRHBPCRHR2
Ethane SCHEMBL3302283 0.76 MAPT (0.60) MAPTALDH1A1L3MBTL1CRHBPCRHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0968171-B1 CATIONIC OXIDATION BASES, THEIR USE FOR OXIDATION DYEING OF KERATIN FIBRES, DYEING COMPOSITIONS AND DYEING METHODS OREAL (FR) 2003-10-08 EP disclosed
EP-0968171-A1 NOVEL CATIONIC OXIDATION BASES, THEIR USE FOR OXIDATION DYEING OF KERATIN FIBRES, DYEING COMPOSITIONS AND DYEING METHODS L'OREAL (FR) 2000-01-05 EP disclosed
WO-1999003819-A1 NOVEL CATIONIC OXIDATION BASES, THEIR USE FOR OXIDATION DYEING OF KERATIN FIBRES, DYEING COMPOSITIONS AND DYEING METHODS L'OREAL (FR) 1999-01-28 WO disclosed