SCHEMBL1069318

SCHEMBL1069318

O=C=Nc1cc(N=C=O)c2ccccc2c1N=C=O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.41
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
TRPA1 O75762 1/20 0.36
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
RAD52 P43351 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
HSP90AA1 P07900 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL662649 0.83 TDP1 (0.39) CYP3A4GABRA1GABRB2TDP1ALDH1A1
SCHEMBL11436578 0.83 CYP3A4 (0.46) CYP3A4GABRA1GABRB2TDP1ALDH1A1
SCHEMBL664224 0.83 CYP3A4 (0.46) CYP3A4GABRA1GABRB2TDP1ALDH1A1
SCHEMBL1170136 0.80 GABRA1 (0.48) CYP3A4GABRA1GABRB2TDP1ALDH1A1
SCHEMBL15234393 0.79 CYP3A4 (0.49) CYP3A4GABRA1GABRB2TDP1ALDH1A1
SCHEMBL33014 0.78 CYP3A4 (0.48) CYP3A4GABRA1GABRB2TDP1ALDH1A1
SCHEMBL665041 0.78 CYP3A4 (0.53) CYP3A4GABRA1GABRB2TDP1ALDH1A1
SCHEMBL27066 0.78 CYP3A4 (0.50) CYP3A4GABRA1GABRB2TDP1ALDH1A1
SCHEMBL29405309 0.78 CYP3A4 (0.50) CYP3A4GABRA1GABRB2TDP1ALDH1A1
SCHEMBL112471 0.77 POLB (0.41) CYP3A4GABRA1GABRB2TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3765562-A1 CARDANOL BLOCKED ISOCYANATE ADHESION PROMOTOR FOR PVC PLASTISOL Evonik Operations GmbH (DE) 2021-01-20 EP claimed
WO-2019174972-A1 CARDANOL BLOCKED ISOCYANATE ADHESION PROMOTOR FOR PVC PLASTISOL EVONIK DEGUSSA GMBH (DE) 2019-09-19 WO claimed
EP-3491074-A1 A LOW TEMPERATURE CURE COATING FORMED VIA A DOUBLE LAYER CURING MECHANISM OF A PIGMENTED WATERBORNE BASELAYER AND A SOLVENTBORNE TOP LAYER BASF Coatings GmbH (DE) 2019-06-05 EP claimed
WO-2018019686-A1 A LOW TEMPERATURE CURE COATING FORMED VIA A DOUBLE LAYER CURING MECHANISM OF A PIGMENTED WATERBORNE BASELAYER AND A SOLVENTBORNE TOP LAYER BASF COATINGS GMBH (DE) 2018-02-01 WO claimed
EP-2996774-A1 METHODS OF TREATING AND/OR PREVENTING NAIL DISORDERS AND/OR IMPROVING THE APPEARANCE OF A NAIL Chesson Laboratory Associates, Inc. (US) 2016-03-23 EP claimed
WO-2014186355-A1 METHODS OF TREATING AND/OR PREVENTING NAIL DISORDERS AND/OR IMPROVING THE APPEARANCE OF A NAIL CHESSON LABORATORY ASSOCIATES, INC. (US) 2014-11-20 WO claimed
EP-2207535-A2 POLY(UREA-URETHANE) COMPOSITIONS USEFUL AS TOPICAL MEDICAMENTS AND METHODS OF USING THE SAME Chesson Laboratory Associates, Inc. (US) 2010-07-21 EP claimed
WO-2009051648-A2 POLY(UREA-URETHANE) COMPOSITIONS USEFUL AS TOPICAL MEDICAMENTS AND METHODS OF USING THE SAME CHESSON LABORATORY ASSOCIATES, INC. (US) 2009-04-23 WO claimed
EP-1542842-A1 NON-TOXIC HYDROPHOBIC ELASTOMERIC POLYMER CHEMISTRY SYSTEM FOR WOOD PRESERVATION Roof Matrix, Inc. (US) 2005-06-22 EP claimed
WO-2004018171-A1 NON-TOXIC HYDROPHOBIC ELASTOMERIC POLYMER CHEMISTRY SYSTEM FOR WOOD PRESERVATION ROOF MATRIX, INC. (US) 2004-03-04 WO claimed
EP-1307495-A2 POLYURETHANE HOTMELT ADHESIVES WITH ACRYLIC COPOLYMERS AND THERMOPLASTIC RESINS National Starch and Chemical Investment Holding Corporation (US) 2003-05-07 EP claimed
WO-2001081495-A2 POLYURETHANE HOTMELT ADHESIVES WITH ACRYLIC COPOLYMERS AND THERMOPLASTIC RESINS NATIONAL STARCH & CHEMICAL INVESTMENT HOLDING CORPORATION (US) 2001-11-01 WO claimed
WO-2024151497-A1 POLYMER ARTICLES FOR A COOLANT FLUID CIRCUIT IN ELECTRIC VEHICLES CELANESE INTERNATIONAL CORPORATION (US) 2024-07-18 WO disclosed
WO-2024123540-A1 MIX ON BOARD APPLICATION FOR WOOD PRODUCT EMULSION ADHESIVES HENKEL AG & CO. KGAA (DE) 2024-06-13 WO disclosed
WO-2024016319-A1 SOLVENT-FREE POLYURETHANE ADHESIVE COMPOSITION AND USE THEREOF HENKEL AG & CO. KGAA (DE) 2024-01-25 WO disclosed
WO-2023138854-A1 METHODS FOR THE SYNTHESIS OF DI(HYDROXYMETHYL)TETRAHYDROFURAN AND ITS APPLICATION IN POLYESTERS AND POLYURETHANES HENKEL AG & CO. KGAA (DE) 2023-07-27 WO disclosed
WO-1996020224-A1 CATIONIC POLYURETHANE-BASED POLYMER DISPERSIONS HOECHST AKTIENGESELLSCHAFT (DE) 1996-07-04 WO disclosed
EP-0279813-A1 WATER SOLUBLE COATING FOR THE PRODUCTION OF THE BASE LAYER OF A MULTILAYERED COATING BASF Lacke + Farben AG (DE) 1988-08-31 EP disclosed
EP-0275991-A2 Thermoplastic resin composition DAINIPPON INK AND CHEMICALS, INC. (JP) 1988-07-27 EP disclosed
WO-1987003829-A1 WATER SOLUBLE COATING FOR THE PRODUCTION OF THE BASE LAYER OF A MULTILAYERED COATING BASF LACKE + FARBEN AKTIENGESELLSCHAFT (DE) 1987-07-02 WO disclosed