SCHEMBL27622210

SCHEMBL27622210

[CH2]CCn1nc(Br)c([N+](=O)[O-])c1N1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 4/20 0.38
MAPK1 P28482 2/20 0.38
HTT P42858 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP2D6 P10635 1/20 0.34
ALDH1A1 P00352 6/20 0.32
ALOX12 P18054 1/20 0.32
POLB P06746 1/20 0.31
PKM P14618 1/20 0.31
KMT2A Q03164 3/20 0.31
PSMD14 O00487 1/20 0.31
GAA P10253 1/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL14401659 0.86 HTT (0.37) MAPTL3MBTL1NPSR1LMNAMAPK1
SCHEMBL2923501 0.84 MEN1 (0.37) MAPTL3MBTL1NPSR1LMNAMAPK1
SCHEMBL2929425 0.79 MAPT (0.32) MAPTL3MBTL1NPSR1LMNAMAPK1
SCHEMBL3141869 0.77 HTT (0.33) MAPTL3MBTL1NPSR1LMNAMAPK1
SCHEMBL27603443 0.69 SMN1; SMN2 (0.40) MAPT
SCHEMBL6068973 0.69 ALDH1A1 (0.30) MAPTALDH1A1
SCHEMBL27928567 0.66 SMN1; SMN2 (0.37) MAPTKMT2A
SCHEMBL27603447 0.65 MAPT (0.45) MAPTLMNAMAPK1HTTALDH1A1
SCHEMBL6758738 0.64 PKM (0.33) L3MBTL1HTTALDH1A1PKMKMT2A
SCHEMBL3436156 0.63 ALDH1A1 (0.37) MAPTL3MBTL1NPSR1LMNAHTT

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
CN-1899247-B Composition for dyeing keratinic fibres comprising a diamino-N,N-dihydro-pyrazolone derivative, a color coupling agent and a selected surface-active agent OREAL 2010-10-13 CN disclosed
CN-1899247-A Composition for dyeing keratinic fibres comprising a diamino-N,N-dihydro-pyrazolone dervative, a coupling agent and a selected surface-active agent OREAL (FR) 2007-01-24 CN disclosed
CN-1660033-A Composition for dyeing keratinous fibers comprising at least one diamino-n,n-dihydropyrazolone derivative OREAL (FR) 2005-08-31 CN disclosed