SCHEMBL4603633

SCHEMBL4603633

Cc1c(O)ccc(N)c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.46
ALDH1A1 P00352 4/20 0.46
HSD17B10 Q99714 3/20 0.46
HDAC3 O15379 1/20 0.41
IDO1 P14902 1/20 0.41
EP300 Q09472 1/20 0.41
KAT2B Q92831 1/20 0.41
KAT8 Q9H7Z6 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
PDE10A Q9Y233 1/20 0.41
ESR1 P03372 4/20 0.41
ESR2 Q92731 3/20 0.41
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
CSNK2A3 Q8NEV1 1/20 0.39
CYP3A4 P08684 2/20 0.39
CD44 P16070 1/20 0.39
TRPA1 O75762 1/20 0.39
ATM Q13315 1/20 0.39

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
Phenol SCHEMBL8359665 0.87 TDP1 (0.44) ALOX15ALDH1A1HSD17B10HDAC3IDO1
SCHEMBL4815999 0.83 ALDH1A1 (0.44) ALOX15ALDH1A1HSD17B10PDE10AESR1
SCHEMBL525507 0.81 ALDH1A1 (0.48) ALOX15ALDH1A1HSD17B10HDAC3IDO1
SCHEMBL1568810 0.79 ALDH1A1 (0.52) ALOX15ALDH1A1HSD17B10HDAC3IDO1
SCHEMBL30962921 0.79 POLB (0.56) ALOX15ALDH1A1HSD17B10PDE10AESR1
SCHEMBL315655 0.79 ALDH1A1 (0.46) ALOX15ALDH1A1HSD17B10HDAC3IDO1
SCHEMBL1233639 0.79 POLB (0.56) ALOX15ALDH1A1HSD17B10PDE10AESR1
Hydrochloric Acid SCHEMBL5204358 0.79 ALDH1A1 (0.46) ALOX15ALDH1A1HSD17B10HDAC3IDO1
SCHEMBL29870911 0.77 CYP3A4 (0.53) ALOX15ALDH1A1HSD17B10CYP3A4CD44
SCHEMBL2934547 0.77 CYP3A4 (0.53) ALOX15ALDH1A1HSD17B10CYP3A4CD44

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832640-B1 Oxidation dyeing composition for keratin fibres HENKEL KGAA (DE) 2008-04-30 EP claimed
CN-1550521-A Single component polyurethane resin composition ,its preparation method and its paint composition preparation method DPI��ʽ���� 2004-12-01 CN claimed
CN-1045290-C Chelans possessing ortho ligating functionality and complexes thereof DOW CHEMICAL CO (US) 1999-09-29 CN claimed
CN-1038929-C Chelating agents with ortho-complexing functionality and methods for preparing complexes thereof DOW CHEMICAL CO (US) 1998-07-01 CN claimed
CN-105153144-A Main-chain diamine type quinoxalinyl benzoxazine and preparation method thereof UNIV HARBIN ENG 2015-12-16 CN disclosed
WO-2015071074-A1 TWO-COMPONENT ADHESIVE NOLAX AG (CH) 2015-05-21 WO disclosed
CN-1196464-C Novel couplers for oxidative hair dyeing P & G CLAROR INC (US) 2005-04-13 CN disclosed
CN-1550521-A Single component polyurethane resin composition ,its preparation method and its paint composition preparation method DPI��ʽ���� 2004-12-01 CN disclosed
EP-0979064-B1 OXIDATION COLORANTS HENKEL KGAA (DE) 2004-07-28 EP disclosed
CN-1396819-A Novel couplers for oxidative hair dyeing P & G CLAROR INC (US) 2003-02-12 CN disclosed
EP-0979064-A1 OXIDATION COLORANTS Henkel Kommanditgesellschaft auf Aktien (DE) 2000-02-16 EP disclosed
CN-1045290-C Chelans possessing ortho ligating functionality and complexes thereof DOW CHEMICAL CO (US) 1999-09-29 CN disclosed
CN-1025735-C Method for preparing isothiocyanato-functionalized metal complexes DOW CHEMICAL CO (US) 1994-08-24 CN disclosed
CN-1061232-A Polyol and use thereof MITSUI TOATSU CHEMICALS (JP) 1992-05-20 CN disclosed
EP-0161822-B1 COMPOSITION AND METHOD FOR DEOXYGENATION OF AQUEOUS SYSTEMS DEARBORN CHEMICAL COMPANY LIMITED (CA) 1990-02-07 EP disclosed
US-4626411-A Composition and method for deoxygenation DEARBORN CHEMICAL COMPANY, LIMITED (CA) 1986-12-02 US disclosed
EP-0161822-A2 Composition and method for deoxygenation of aqueous systems DEARBORN CHEMICAL COMPANY LIMITED (CA) 1985-11-21 EP disclosed
EP-0054345-B1 METHOD FOR REDUCING THE AMOUNT OF OXYGEN IN AN OXYGEN-CONTAINING AQUEOUS MEDIUM BETZ EUROPE, INC. (US) 1984-07-11 EP disclosed
EP-0054345-A1 Method for reducing the amount of oxygen in an oxygen-containing aqueous medium BETZ EUROPE, INC. (US) 1982-06-23 EP disclosed
US-4124500-A PHENOLIC ACTIVATOR PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1978-11-07 US disclosed