SCHEMBL6570633

SCHEMBL6570633

COc1cc([N+](=O)[O-])ccc1NCC[n+]1ccn(C)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.47
KMT2A Q03164 8/20 0.47
PKM P14618 3/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 2/20 0.44
LMNA P02545 2/20 0.43
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42

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
Bromide SCHEMBL5718241 0.99 ALDH1A1 (0.47) ALDH1A1KMT2APKMHTTSMN1; SMN2
SCHEMBL2924185 0.81 MAPT (0.36) ALDH1A1HTTSMN1; SMN2TSHRLMNA
SCHEMBL28879558 0.80 MAPT (0.46) ALDH1A1KMT2APKMHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL5483280 0.80 MAPT (0.35) ALDH1A1HTTSMN1; SMN2TSHRLMNA
SCHEMBL5718499 0.79 MAPT (0.48) ALDH1A1KMT2AHTTSMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL7255251 0.79 MAPT (0.35) ALDH1A1HTTSMN1; SMN2TSHRLMNA
Bromide SCHEMBL5718408 0.78 MAPT (0.47) ALDH1A1KMT2AHTTSMN1; SMN2MEN1
SCHEMBL6574005 0.75 HTT (0.58) ALDH1A1KMT2APKMHTTSMN1; SMN2
SCHEMBL9681150 0.75 LMNA (0.60) ALDH1A1KMT2APKMHTTSMN1; SMN2
SCHEMBL56823 0.75 HTT (0.58) ALDH1A1KMT2APKMHTTSMN1; SMN2

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