SCHEMBL6944870

SCHEMBL6944870

CCCOc1cc(N)ccc1N

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.70
MAPT P10636 4/20 0.70
ALDH1A1 P00352 4/20 0.70
KDM4E B2RXH2 3/20 0.70
MEN1 O00255 2/20 0.70
POLB P06746 2/20 0.70
KMT2A Q03164 2/20 0.70
HTT P42858 2/20 0.70
USP2 O75604 1/20 0.70
TP53 P04637 1/20 0.70
CASP1 P29466 1/20 0.70
CASP7 P55210 1/20 0.70
ATM Q13315 1/20 0.70
MAPK1 P28482 2/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CYP1A2 P05177 3/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL30433987 1.00 GAA (0.70) GAAMAPTALDH1A1KDM4EMEN1
SCHEMBL11416116 0.90 CYP1A2 (0.61) GAAMAPTALDH1A1KDM4EMEN1
SCHEMBL11221918 0.87 ALDH1A1 (0.52) GAAMAPTALDH1A1KDM4EMEN1
SCHEMBL29533603 0.87 TSHR (0.56) GAAMAPTALDH1A1KDM4EMEN1
SCHEMBL351594 0.87 TSHR (0.56) GAAMAPTALDH1A1KDM4EMEN1
SCHEMBL350548 0.87 TSHR (0.56) GAAMAPTALDH1A1KDM4EMEN1
SCHEMBL30296935 0.87 TSHR (0.56) GAAMAPTALDH1A1KDM4EMEN1
SCHEMBL17240308 0.87 TSHR (0.56) GAAMAPTALDH1A1KDM4EMEN1
SCHEMBL22773397 0.87 TSHR (0.56) GAAMAPTALDH1A1KDM4EMEN1
SCHEMBL368123 0.87 TSHR (0.56) GAAMAPTALDH1A1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3334407-A1 BUNTE SALTS FROM AMINO ACIDS AND OLIGOPEPTIDES AS PROTECTIVE INGREDIENTS IN HAIR TREATMENT MEANS Henkel AG & Co. KGaA (DE) 2018-06-20 EP disclosed
CN-106999387-A Dye composition comprising p-phenylenediamine oxidation base and additional base 莱雅公司 2017-08-01 CN disclosed
CN-106999395-A Dye composite comprising p-phenylenediamine fouramine and specific coupling agent 莱雅公司 2017-08-01 CN disclosed
CN-106999388-A Dye composite comprising p-phenylenediamine fouramine and heterocycle fouramine 莱雅公司 2017-08-01 CN disclosed
EP-1301163-A1 OXIDISED HAIR COLOURING AGENTS CONTAINING AT LEAST ONE DISUBSTITUITED 2.4-DIAMINO PHENYL ETHER AS A COUPLING COMPONENT Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-16 EP disclosed
WO-2002005767-A1 OXIDISED HAIR COLOURING AGENTS CONTAINING AT LEAST ONE DISUBSTITUITED 2.4-DIAMINO PHENYL ETHER AS A COUPLING COMPONENT HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-01-24 WO disclosed
US-4239708-A P-Phenylene bis[imino(thiocarbonyl)] diphosphoramidic acid esters as anthelmentic agents AMERICAN CYANAMID COMPANY (US) 1980-12-16 US disclosed
US-4137310-A LARVICIDES AMERICAN CYANAMID COMPANY (US) 1979-01-30 US disclosed
US-4065449-A Tetrachloro substituted disazo pigments CIBA-GEIGY CORPORATION (US) 1977-12-27 US disclosed
US-3978038-A POLYAMIDES, POLYESTERS, POLYURETHANES CIBA-GEIGY CORPORATION (US) 1976-08-31 US disclosed
US-3956266-A DISAZO DYES CIBA-GEIGY CORPORATION (US) 1976-05-11 US disclosed