SCHEMBL2109569

SCHEMBL2109569

Nc1cc(-c2cc(N)c(N)c(N)c2)cc(N)c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.44
ALDH1A1 P00352 5/20 0.44
TSHR P16473 4/20 0.44
TDP1 Q9NUW8 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TP53 P04637 1/20 0.44
PTK2 Q05397 1/20 0.43
GAA P10253 3/20 0.33
ALOX15 P16050 2/20 0.32
HSD17B10 Q99714 2/20 0.32
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HPGD P15428 1/20 0.31
ALOX12 P18054 1/20 0.31
HTT P42858 1/20 0.31
MAPK1 P28482 2/20 0.30

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
SCHEMBL12818710 0.82 ALDH1A1 (0.54) CYP3A4ALDH1A1TSHRTDP1MEN1
SCHEMBL969462 0.82 ALDH1A1 (0.61) CYP3A4ALDH1A1TDP1MEN1KMT2A
SCHEMBL17125480 0.82 ALDH1A1 (0.78) CYP3A4ALDH1A1TSHRTDP1MEN1
SCHEMBL2811649 0.77 ALDH1A1 (0.48) CYP3A4ALDH1A1TSHRTDP1MEN1
SCHEMBL2815253 0.77 ALDH1A1 (0.72) CYP3A4ALDH1A1TSHRTDP1MEN1
SCHEMBL4284421 0.75 CYP3A4 (0.44) CYP3A4ALDH1A1TSHRTDP1MEN1
Water SCHEMBL2813566 0.75 ALDH1A1 (0.68) CYP3A4ALDH1A1TSHRTDP1MEN1
SCHEMBL2025359 0.70 PTK2 (0.58) CYP3A4ALDH1A1TSHRTDP1MEN1
SCHEMBL95737 0.69 PTK2 (0.38) PTK2GAA
SCHEMBL12819217 0.69 MAPT (0.40) CYP3A4ALDH1A1TSHRTDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1903069-B1 NOVEL POLYMER AND METHOD OF MEASURING CHOLESTEROL THEREWITH WAKO PURE CHEM IND LTD (JP) 2015-08-12 EP disclosed
US-8158375-B2 Polymer and method of measuring cholesterol therewith WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-04-17 US disclosed
EP-2239281-A2 Novel polymer and method for determining cholesterol using the same Wako Pure Chemical Industries, Ltd. (JP) 2010-10-13 EP disclosed
US-20090215097-A1 Novel Polymer and Method of Measuring Cholesterol Therewith WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2009-08-27 US disclosed
EP-1903069-A1 NOVEL POLYMER AND METHOD OF MEASURING CHOLESTEROL THEREWITH Wako Pure Chemical Industries, Ltd. (JP) 2008-03-26 EP disclosed
EP-0964249-B1 Method for measuring LDL-cholesterol WAKO PURE CHEM IND LTD (JP) 2004-11-10 EP disclosed
EP-0878716-B1 Measurement of LDL-cholesterol WAKO PURE CHEM IND LTD (JP) 2003-06-04 EP disclosed
EP-0964249-A2 Method for measuring LDL-cholesterol WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 1999-12-15 EP disclosed
US-5925534-A MEASURING AMOUNT OF CHOLESTEROL IN LOW DENSITY LIPOPROTEINS BY MIXING SAMPLE WITH REAGENT IN PRESENCE OF POLYANION AND AMPHOTERIC SURFACTANT, OPTICALLY MEASURING REACTION PRODUCT WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-20 US disclosed
US-5885788-A CONDUCTING THE MEASUREMENT OF CHOLESTEROL IN THE PRESENCE OF AN AMPHOTERIC SURFACTANT AND AN ALIPHATIC AMINE CONTAINING CARBOXYL GROUPS(S) OR SULFONIC ACID GROUP(S) WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1999-03-23 US disclosed
US-5879901-A REAGENT COMPRISING CHOLESTEROL ESTERASE AND CHOLESTEROL OXIDASE, AT LEAST ONE OF WHICH IS MODIFIED BY BEING BOUND TO SUGAR COMPOUND; FOR DIRECT MEASUREMENT BY SPECTROPHOTOGRAPHIC ABSORBANCE WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1999-03-09 US disclosed
EP-0878716-A1 Measurement of LDL-cholesterol WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 1998-11-18 EP disclosed
US-5814472-A REACTING LIVING SAMPLE WITH CHOLESTEROL OXIDASE OR CHOLESTEROL DEHYDROGENASE IN PRESENCE OF AMPHOTERIC SURFACTANT AND CYCLODEXTRIN WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-29 US disclosed
EP-0821239-A2 Method for measuring an amount of LDL-cholesterol WAKO PURE CHEMICAL INDUSTRIES, LTD (JP) 1998-01-28 EP disclosed
EP-0819765-A2 Reagent for measuring an amount of cholesterol WAKO PURE CHEMICAL INDUSTRIES, LTD (JP) 1998-01-21 EP disclosed
EP-0402094-B1 Process for measuring body fluid components WAKO PURE CHEM IND LTD (JP) 1996-08-28 EP disclosed
US-5384248-A Process for measuring an analyte with an oxidase and an oxidizable color reagent and surfactants WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1995-01-24 US disclosed
EP-0402094-A2 Process for measuring body fluid components WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 1990-12-12 EP disclosed