SCHEMBL21628237

SCHEMBL21628237

CCN(CC)c1ccc2c(c1)Oc1cc([N+](=O)[O-])ccc1N2

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.45
KMT2A Q03164 8/20 0.45
ALDH1A1 P00352 7/20 0.45
MAPT P10636 6/20 0.45
POLB P06746 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HTT P42858 2/20 0.42
TP53 P04637 1/20 0.42
LMNA P02545 1/20 0.40
SNCA P37840 5/20 0.39
TLR9 Q9NR96 2/20 0.39
GAA P10253 1/20 0.39
CAPN9 O14815 1/20 0.38
CASP3 P42574 1/20 0.38
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37

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
SCHEMBL29895860 0.84 ALDH1A1 (0.44) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL80727 0.84 ALDH1A1 (0.44) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL29636440 0.83 MEN1 (0.59) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL10346886 0.83 MEN1 (0.59) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL21628234 0.80 HTT (0.43) MEN1KMT2AALDH1A1MAPTL3MBTL1
Perchlorate SCHEMBL4952408 0.79 ALDH1A1 (0.41) MEN1KMT2AALDH1A1MAPTL3MBTL1
Perchlorate SCHEMBL31339191 0.79 ALDH1A1 (0.41) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL30867064 0.77 MEN1 (0.57) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL10650637 0.77 MEN1 (0.57) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL11820212 0.76 ALDH1A1 (0.49) MEN1KMT2AALDH1A1MAPTL3MBTL1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11261403-B2 Stabilized compositions comprising leuco compounds MILLIKEN & COMPANY (US) 2022-03-01 US claimed
US-11136535-B2 Leuco colorants as bluing agents in laundry care compositions THE PROCTER & GAMBLE COMPANY (US) 2021-10-05 US claimed
CN-112513238-A Stable compositions comprising leuco compounds 美利肯公司 2021-03-16 CN claimed
US-20200032173-A1 LEUCO COLORANTS AS BLUING AGENTS IN LAUNDRY CARE COMPOSITIONS THE PROCTER & GAMBLE COMPANY 2020-01-30 US claimed
US-20230392018-A1 COMPOSITIONS COMPRISING LEUCO COMPOUNDS AND COLORANTS MILLIKEN & COMPANY 2023-12-07 US disclosed
EP-4237498-A1 COMPOSITIONS COMPRISING LEUCO COMPOUNDS AND COLORANTS Milliken & Company (US) 2023-09-06 EP disclosed
WO-2022093189-A1 COMPOSITIONS COMPRISING LEUCO COMPOUNDS AND COLORANTS MILLIKEN & COMPANY (US) 2022-05-05 WO disclosed
US-11261403-B2 Stabilized compositions comprising leuco compounds MILLIKEN & COMPANY (US) 2022-03-01 US disclosed
US-11136535-B2 Leuco colorants as bluing agents in laundry care compositions THE PROCTER & GAMBLE COMPANY (US) 2021-10-05 US disclosed
EP-3830232-A1 LEUCO COLORANTS AS BLUING AGENTS IN LAUNDRY CARE COMPOSITIONS The Procter & Gamble Company (US) 2021-06-09 EP disclosed
CN-112513238-A Stable compositions comprising leuco compounds 美利肯公司 2021-03-16 CN disclosed
WO-2020023812-A1 LEUCO COLORANTS AS BLUING AGENTS IN LAUNDRY CARE COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2020-01-30 WO disclosed
US-20200032173-A1 LEUCO COLORANTS AS BLUING AGENTS IN LAUNDRY CARE COMPOSITIONS THE PROCTER & GAMBLE COMPANY 2020-01-30 US disclosed
US-20200032167-A1 STABILIZED COMPOSITIONS COMPRISING LEUCO COMPOUNDS MILLIKEN & COMPANY 2020-01-30 US disclosed