SCHEMBL9498147

SCHEMBL9498147

CCN(CC)CCNc1cc([N+](=O)[O-])c(N)cc1C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
MAPT P10636 4/20 0.48
NPSR1 Q6W5P4 1/20 0.40
HDAC1 Q13547 1/20 0.40
LMNA P02545 1/20 0.40
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
KAT2B Q92831 5/20 0.39
TSHR P16473 2/20 0.38
CYP3A4 P08684 2/20 0.38
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
ALOX15 P16050 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
APP P05067 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
SCHEMBL8355249 0.86 MAPT (0.47) ALDH1A1MAPTNPSR1HDAC1LMNA
SCHEMBL11056141 0.85 MAPT (0.54) ALDH1A1MAPTLMNAKAT2BTSHR
SCHEMBL8350044 0.85 MAPT (0.46) ALDH1A1MAPTNPSR1HDAC1LMNA
SCHEMBL6151634 0.83 MAPT (0.52) ALDH1A1MAPTLMNABCHEACHE
SCHEMBL8349257 0.83 MAPT (0.44) ALDH1A1MAPTNPSR1HDAC1LMNA
SCHEMBL112790 0.82 MAPT (0.54) ALDH1A1MAPTLMNAKAT2BTSHR
SCHEMBL30808005 0.82 MAPT (0.54) ALDH1A1MAPTLMNAKAT2BTSHR
SCHEMBL11054352 0.82 MAPT (0.49) ALDH1A1MAPTLMNATSHRCYP3A4
SCHEMBL10620161 0.82 HDAC1 (0.42) ALDH1A1MAPTNPSR1HDAC1LMNA
SCHEMBL29391950 0.81 MAPT (0.52) ALDH1A1MAPTLMNAKAT2BTSHR

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
US-4511360-A Dyeing compositions based on oxidation dyestuff precursors and on nitro benzene dyestuffs and their use for dyeing keratin fibres L'OREAL (FR) 1985-04-16 US claimed
US-5186717-A Colorfastness, hair dyes L'OREAL (FR) 1993-02-16 US disclosed
US-4511360-A Dyeing compositions based on oxidation dyestuff precursors and on nitro benzene dyestuffs and their use for dyeing keratin fibres L'OREAL (FR) 1985-04-16 US disclosed
US-4470826-A HAIR DYES, NITRO DYES, DIRECT DYES L'OREAL (FR) 1984-09-11 US disclosed