SCHEMBL21628222

SCHEMBL21628222

COc1ccc2c(c1)Oc1cc([N+](=O)[O-])ccc1N2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 3/20 0.63
CTSV O60911 1/20 0.49
CTSL P07711 1/20 0.49
MAPT P10636 7/20 0.48
ALDH1A1 P00352 4/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
POLB P06746 2/20 0.48
MAPK1 P28482 4/20 0.47
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
CCNB2 O95067 2/20 0.45
CDK1 P06493 2/20 0.45
CCNB1 P14635 2/20 0.45
GSK3B P49841 2/20 0.45
CDK5 Q00535 2/20 0.45
CDK5R1 Q15078 2/20 0.45
CCNB3 Q8WWL7 2/20 0.45
HTT P42858 3/20 0.45

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
SCHEMBL29636494 1.00 SNCA (0.63) SNCACTSVCTSLMAPTALDH1A1
SCHEMBL10346886 0.86 MEN1 (0.59) SNCAMAPTALDH1A1MEN1KMT2A
SCHEMBL29636440 0.86 MEN1 (0.59) SNCAMAPTALDH1A1MEN1KMT2A
SCHEMBL13461776 0.83 SNCA (0.55) SNCAMAPTALDH1A1MEN1KMT2A
SCHEMBL34467599 0.83 SNCA (0.55) SNCAMAPTALDH1A1MEN1KMT2A
SCHEMBL10650637 0.80 MEN1 (0.57) SNCAMAPTALDH1A1MEN1KMT2A
SCHEMBL30867064 0.80 MEN1 (0.57) SNCAMAPTALDH1A1MEN1KMT2A
SCHEMBL30811587 0.79 MAPT (0.72) SNCAMAPTALDH1A1MEN1KMT2A
SCHEMBL21628256 0.79 MAPT (0.72) SNCAMAPTALDH1A1MEN1KMT2A
SCHEMBL29636451 0.79 MAPT (0.72) SNCAMAPTALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20200032173-A1 LEUCO COLORANTS AS BLUING AGENTS IN LAUNDRY CARE COMPOSITIONS THE PROCTER & GAMBLE COMPANY 2020-01-30 US disclosed
WO-2020023812-A1 LEUCO COLORANTS AS BLUING AGENTS IN LAUNDRY CARE COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2020-01-30 WO disclosed
US-20200032167-A1 STABILIZED COMPOSITIONS COMPRISING LEUCO COMPOUNDS MILLIKEN & COMPANY 2020-01-30 US disclosed