SCHEMBL6573894

SCHEMBL6573894

C[n+]1ccn(CCCNc2ccc([N+](=O)[O-])cc2C#N)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.53
ALDH1A1 P00352 7/20 0.48
LMNA P02545 4/20 0.46
MAPT P10636 3/20 0.40
POLB P06746 2/20 0.40
PKM P14618 1/20 0.40
GAA P10253 2/20 0.39
VCAM1 P19320 1/20 0.38
BCL6 P41182 1/20 0.38
BCOR Q6W2J9 1/20 0.38
KAT2B Q92831 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 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
SCHEMBL5718367 0.93 RECQL (0.47) RECQLALDH1A1LMNAMAPTPOLB
SCHEMBL6571751 0.85 MAPT (0.46) ALDH1A1LMNAMAPTPOLBPKM
SCHEMBL6571775 0.84 POLB (0.42) ALDH1A1LMNAMAPTPOLBPKM
SCHEMBL2930590 0.82 MAPT (0.37) RECQLALDH1A1LMNAMAPTPOLB
Hydrochloric Acid SCHEMBL5476492 0.81 MAPT (0.36) RECQLALDH1A1LMNAMAPTPOLB
Hydrochloric Acid SCHEMBL7251372 0.80 MEN1 (0.36) RECQLALDH1A1LMNAMAPTPOLB
SCHEMBL6570557 0.79 ALDH1A1 (0.54) RECQLALDH1A1LMNAMAPTPOLB
SCHEMBL6572859 0.79 ALDH1A1 (0.49) RECQLALDH1A1MAPTPKMGAA
SCHEMBL5718378 0.79 MAPT (0.42) ALDH1A1LMNAMAPTPOLBPKM
SCHEMBL5718409 0.78 ALDH1A1 (0.49) ALDH1A1LMNAMAPTPOLBPKM

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