SCHEMBL6572859

SCHEMBL6572859

C[n+]1ccn(CCCNc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
GLA P06280 2/20 0.49
MAPT P10636 11/20 0.46
KDM4E B2RXH2 2/20 0.46
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
GAA P10253 2/20 0.44
HPGD P15428 1/20 0.44
ALOX12 P18054 1/20 0.44
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
QPCT Q16769 1/20 0.42
RAB9A P51151 2/20 0.41
HTT P42858 2/20 0.40
APAF1 O14727 1/20 0.40
NPC1 O15118 1/20 0.40
PLA2G1B P04054 1/20 0.40
HSP90AA1 P07900 1/20 0.40
MAPK1 P28482 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
SCHEMBL5718502 0.91 MAPT (0.43) ALDH1A1SMN1; SMN2GLAMAPTKDM4E
SCHEMBL6571775 0.84 POLB (0.42) ALDH1A1SMN1; SMN2MAPTKDM4EKMT2A
SCHEMBL6571751 0.82 MAPT (0.46) ALDH1A1SMN1; SMN2MAPTKDM4EKMT2A
SCHEMBL6570543 0.82 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL8020996 0.81 MAPT (0.46) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL6151236 0.81 MAPT (0.41) ALDH1A1SMN1; SMN2GLAMAPTKMT2A
SCHEMBL2926247 0.80 SMN1; SMN2 (0.45) SMN1; SMN2MAPTKMT2AMEN1QPCT
Hydrochloric Acid SCHEMBL5718428 0.80 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2GLAMAPTKDM4E
Hydrochloric Acid SCHEMBL5718455 0.79 MAOA (0.43) ALDH1A1SMN1; SMN2GLAMAPTKDM4E
Hydrochloric Acid SCHEMBL5474632 0.79 NPC1 (0.44) SMN1; SMN2MAPTKMT2AMEN1MAOA

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 4 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-1018333-A2 Use of cationic monobenzene nitroanilines for dyeing keratin fibres , compositions and dyeing process L'OREAL (FR) 2000-07-12 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