SCHEMBL6571775

SCHEMBL6571775

C[n+]1ccn(CCCNc2ccc([N+](=O)[O-])cc2F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.42
KAT2B Q92831 2/20 0.42
MAPT P10636 8/20 0.42
PKM P14618 1/20 0.42
ALDH1A1 P00352 7/20 0.41
KMT2A Q03164 6/20 0.39
MEN1 O00255 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 3/20 0.36
MAPK1 P28482 2/20 0.36
CDK2 P24941 2/20 0.36
LMNA P02545 2/20 0.36
TRPA1 O75762 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
THPO P40225 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36

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
SCHEMBL5718281 0.92 POLB (0.37) POLBKAT2BMAPTPKMALDH1A1
SCHEMBL6571751 0.88 MAPT (0.46) POLBKAT2BMAPTPKMALDH1A1
SCHEMBL6573894 0.84 RECQL (0.53) POLBKAT2BMAPTPKMALDH1A1
SCHEMBL6572859 0.84 ALDH1A1 (0.49) MAPTPKMALDH1A1KMT2AMEN1
SCHEMBL5718378 0.81 MAPT (0.42) POLBKAT2BMAPTPKMALDH1A1
SCHEMBL2926193 0.81 MEN1 (0.40) MAPTKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL5718409 0.80 ALDH1A1 (0.49) POLBKAT2BMAPTPKMALDH1A1
Hydrochloric Acid SCHEMBL5474068 0.80 MEN1 (0.39) MAPTKMT2AMEN1SMN1; SMN2NPC1
Water SCHEMBL6571749 0.79 MEN1 (0.38) MAPTKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL5718533 0.78 MAPT (0.55) POLBKAT2BMAPTPKMALDH1A1

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-0928289-B1 NOVEL CATIONIC OXIDATION BASES, THEIR USE FOR OXIDATION DYEING OF KERATIN FIBRES, DYEING COMPOSITIONS AND DYEING METHODS OREAL (FR) 2004-09-29 EP disclosed
EP-0928289-A1 NOVEL CATIONIC OXIDATION BASES, THEIR USE FOR OXIDATION DYEING OF KERATIN FIBRES, DYEING COMPOSITIONS AND DYEING METHODS L'OREAL (FR) 1999-07-14 EP disclosed
WO-1999003836-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