SCHEMBL525650

SCHEMBL525650

Nc1cc(Cl)c(N)c(Br)c1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.65
GAA P10253 3/20 0.65
MAPT P10636 2/20 0.65
ALDH1A1 P00352 2/20 0.65
CA1 P00915 7/20 0.54
CA2 P00918 7/20 0.54
CA9 Q16790 6/20 0.54
THRB P10828 1/20 0.46
TSHR P16473 1/20 0.40
TP53 P04637 1/20 0.39
CA3 P07451 1/20 0.36
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
AHR P35869 2/20 0.32

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
SCHEMBL24616492 0.80 CYP3A4 (0.52) CYP3A4GAAMAPTALDH1A1CA1
SCHEMBL5076239 0.80 MAPT (1.00) CYP3A4GAAMAPTALDH1A1CA1
SCHEMBL292270 0.80 CYP3A4 (1.00) CYP3A4GAAMAPTALDH1A1CA1
SCHEMBL31050390 0.79 CA1 (0.54) CYP3A4GAAMAPTALDH1A1CA1
SCHEMBL9772902 0.79 CA1 (0.54) CYP3A4GAAMAPTALDH1A1CA1
SCHEMBL31424216 0.79 CA1 (0.54) CYP3A4GAAMAPTALDH1A1CA1
SCHEMBL3605101 0.79 CA1 (0.54) CYP3A4GAAMAPTALDH1A1CA1
SCHEMBL6217810 0.79 CA1 (0.54) CYP3A4GAAMAPTALDH1A1CA1
SCHEMBL21050901 0.79 CYP3A4 (0.50) CYP3A4GAAMAPTALDH1A1CA1
SCHEMBL29675989 0.79 CYP3A4 (0.50) CYP3A4GAAMAPTALDH1A1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7419656-B2 Mixture containing phenylenediamine compound KAO CORPORATION (JP) 2008-09-02 US claimed
CN-1212694-A Pyrimido [5,4-D] pyrimidines, medicaments containing these compounds, their use and process for their production THOMAE GMBH DR K (DE) 1999-03-31 CN claimed
US-4684371-A Oxidation hair dyes comprising m-phenylenediamine derivatives as coupling components HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1987-08-04 US claimed
US-4575377-A Oxidation hair dyes comprising resorcinol derivatives as coupling components HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1986-03-11 US claimed
CN-114929187-A Hair treatment agent, additive and hair treatment method 株式会社资生堂 2022-08-19 CN disclosed
CN-108348448-B Oil-in-water organopolysiloxane emulsion, method for producing same, cosmetic raw material, and cosmetic 陶氏东丽株式会社 2021-08-20 CN disclosed
WO-2021141105-A1 HAIR TREATMENT AGENT, ADDITIVE AND HAIR TREATMENT METHOD 株式会社 資生堂 2021-07-15 WO disclosed
US-10959937-B2 Oil-in-water type organopolysiloxane emulsion and method for producing same, cosmetic raw material, and cosmetic product DOW TORAY CO., LTD. (JP) 2021-03-30 US disclosed
CN-110868996-A Second agent for hair treatment agent and hair treatment agent 株式会社漫丹 2020-03-06 CN disclosed
US-20180280283-A1 OIL-IN-WATER TYPE ORGANOPOLYSILOXANE EMULSION AND METHOD FOR PRODUCING SAME, COSMETIC RAW MATERIAL, AND COSMETIC PRODUCT DOW TORAY CO., LTD. (JP) 2018-10-04 US disclosed
EP-2598113-B1 COSMETIC FOR HAIR CONTAINING CO-MODIFIED ORGANOPOLYSILOXANE DOW CORNING TORAY CO LTD (JP) 2016-04-20 EP disclosed
CN-103108621-B Oxidation hair dye composition SHISEIDO CO.,LTD. (JP) 2016-01-06 CN disclosed
EP-0039034-A1 Coupling components for the oxidative dyeing of hair and their use, as well as compositions containing them Henkel Kommanditgesellschaft auf Aktien (DE) 1981-11-04 EP disclosed
EP-0039030-A1 Coupler components for oxidative hair dyes, their preparation and their use, and hair dyeing compositions containing them Henkel Kommanditgesellschaft auf Aktien (DE) 1981-11-04 EP disclosed
EP-0036591-A1 Coupler components for oxidation hair dyes, their preparation and use, and hair dyes containing them Henkel Kommanditgesellschaft auf Aktien (DE) 1981-09-30 EP disclosed
EP-0030680-A1 Hair dye compositions Henkel Kommanditgesellschaft auf Aktien (DE) 1981-06-24 EP disclosed
EP-0023257-A1 Dichloro-hydroxyethylamino phenols, process for their production, their use and hair dyeing compositions containing them Henkel Kommanditgesellschaft auf Aktien (DE) 1981-02-04 EP disclosed
US-4226595-A Oxidation hair-coloring preparation based upon N,N-bis-(β-hydroxyethyl)-m-phenylenediamines HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1980-10-07 US disclosed
EP-0011844-A1 Coupling components for oxidizing hair dyes, their preparation and hair dyes containing them Henkel Kommanditgesellschaft auf Aktien (DE) 1980-06-11 EP disclosed
EP-0002828-A2 Hair dyeing composition Henkel Kommanditgesellschaft auf Aktien (DE) 1979-07-11 EP disclosed