SCHEMBL108393

SCHEMBL108393

Nc1cc([N+](=O)[O-])ccc1NCCO

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.65
TDP1 Q9NUW8 5/20 0.62
TSHR P16473 3/20 0.62
ALDH1A1 P00352 8/20 0.57
MEN1 O00255 7/20 0.55
MAPT P10636 7/20 0.55
GAA P10253 3/20 0.55
GFER P55789 2/20 0.55
KDM4E B2RXH2 2/20 0.55
ATM Q13315 1/20 0.55
PKM P14618 2/20 0.52
THRB P10828 3/20 0.51
LMNA P02545 2/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP3A4 P08684 2/20 0.47
ALOX15 P16050 1/20 0.47
RECQL P46063 1/20 0.47
DUSP3 P51452 1/20 0.47
PTPN5 P54829 1/20 0.47

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
SCHEMBL29390080 1.00 KMT2A (0.65) KMT2ATDP1TSHRALDH1A1MEN1
SCHEMBL6232719 0.91 ALDH1A1 (0.65) KMT2ATDP1TSHRALDH1A1MEN1
SCHEMBL6896833 0.89 KMT2A (0.62) KMT2ATDP1TSHRALDH1A1MEN1
SCHEMBL2468178 0.86 MAPT (0.55) KMT2ATDP1TSHRALDH1A1MEN1
SCHEMBL29390514 0.85 KMT2A (0.70) KMT2ATDP1TSHRALDH1A1MEN1
SCHEMBL126989 0.85 KMT2A (0.70) KMT2ATDP1TSHRALDH1A1MEN1
SCHEMBL8209173 0.85 KMT2A (0.50) KMT2ATDP1TSHRALDH1A1MEN1
SCHEMBL14063302 0.84 MAPT (0.54) KMT2ATDP1TSHRALDH1A1MEN1
SCHEMBL7355209 0.84 MAPT (0.54) KMT2ATDP1TSHRALDH1A1MEN1
SCHEMBL109470 0.83 KMT2A (0.67) KMT2ATDP1TSHRALDH1A1MEN1

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 1517 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109180054-B Method for preparing gel reducing agent by sulfonated saccharide compounds 湖北工业大学 2021-06-18 CN claimed
CN-109133710-B Preparation method of naphthalene water reducer matching glue reducer 湖北工业大学 2021-06-18 CN claimed
CN-112851193-A Amphiphilic calcite type calcium carbonate-based gel reducing agent and preparation method thereof 深圳市天祥新材料有限公司 2021-05-28 CN claimed
CN-109438627-B Method for preparing gel reducing agent from amphoteric polyether polycarboxylic acid compound 湖北工业大学 2021-03-02 CN claimed
CN-109437643-B Method for preparing gel reducing agent from amphoteric polyester polycarboxylic acid compound 湖北工业大学 2021-03-02 CN claimed
CN-109399990-B Preparation method of gel reducing agent for matching polycarboxylate superplasticizer 湖北工业大学 2021-03-02 CN claimed
CN-107880988-B Environment-friendly forming oil for stainless steel and preparation method thereof 广州市联诺化工科技有限公司 2021-02-09 CN claimed
CN-109384881-B Method for preparing gel reducing agent from cationic polymer 湖北工业大学 2020-12-29 CN claimed
CN-107815344-B Environment-friendly semisynthetic cutting fluid and preparation method thereof 广州市联诺化工科技有限公司 2020-08-25 CN claimed
EP-1437123-B2 COMPOSITION FOR DYEING KERATIN FIBRES AND DYEING METHOD USING SAME L'ORÉAL (FR) 2017-11-08 EP claimed
US-4921504-A 4-(N-ethyl-N-2-hydroxyethyl)-amino-1-(2 hydroxyethyl)-amino-2-nitrobenzene and compositions for dyeing hair containing the same WELLA AKTIENGESELLSCHAFT (DE) 1990-05-01 US claimed
WO-1989001473-A2 PROCESS FOR MANUFACTURING 2,5-DIAMINO-6-NITRO-PYRIDINE DERIVATIVES, THEIR USE IN HAIR DYES, AND NEW 2,5-DIAMINO-6-NITRO-PYRIDINE DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 1989-02-23 WO claimed
EP-0303878-A2 2,5-diamino-nitro-6-pyridine derivatives containing hair dyeing agents Wella Aktiengesellschaft (DE) 1989-02-22 EP claimed
EP-0184061-B1 4-(N-ETHYL,N-2'-HYDROXYETHYL)-AMINO-1-(2\"-HYDROXYETHYL)-AMINO-2-NITROBENZENE AND HAIR DYEING AGENTS Wella Aktiengesellschaft (DE) 1988-12-14 EP claimed
WO-1988008696-A1 USE OF 2,6 DINITRO-ANILINE DERIVATIVES IN HAIR TINTING AGENTS AND NEW DERIVATIVES OF 2,6 DINITRO-ANILINE WELLA AKTIENGESELLSCHAFT (DE) 1988-11-17 WO claimed
EP-0289782-A1 Use of 2,6-dinitroanilin derivatives in hair dyeing compositions and new 2,6-dinitroanilin derivatives Wella Aktiengesellschaft (DE) 1988-11-09 EP claimed
US-4764174-A Nitrophenylenediamine dye composition having improved deposition on human hair and wool HELENE CURTIS, INC. (US) 1988-08-16 US claimed
EP-0203446-A1 Nitro-p-phenylene diamine derivatives, process for their preparation and hair dye compositions containing these compounds Wella Aktiengesellschaft (DE) 1986-12-03 EP claimed
EP-0184061-A1 4-(N-ethyl,N-2'-hydroxyethyl)-amino-1-(2\"-hydroxyethyl)-amino-2-nitrobenzene and hair dyeing agents Wella Aktiengesellschaft (DE) 1986-06-11 EP claimed
EP-0182330-A2 Use of 2-nitroaniline derivatives as hair dyeing agents, and 2-nitroaniline derivatives Wella Aktiengesellschaft (DE) 1986-05-28 EP claimed