SCHEMBL2137249

SCHEMBL2137249

O=C=Nc1ccccc1C(=O)Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.45
CYP3A4 P08684 3/20 0.45
ALOX15 P16050 2/20 0.45
CES2 O00748 2/20 0.34
CES1 P23141 2/20 0.34
HPGD P15428 5/20 0.33
KDM4E B2RXH2 4/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
IDE P14735 1/20 0.33
TRPA1 O75762 1/20 0.32
POLB P06746 1/20 0.31
HTR3E A5X5Y0 1/20 0.31
HTR3B O95264 1/20 0.31
HTR3A P46098 1/20 0.31
HTR3D Q70Z44 1/20 0.31
HTR3C Q8WXA8 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 2/20 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
SCHEMBL30945800 0.83 CYP3A4 (0.48) ALDH1A1CYP3A4ALOX15CES2CES1
SCHEMBL9957687 0.83 CYP3A4 (0.48) ALDH1A1CYP3A4ALOX15CES2CES1
SCHEMBL6573452 0.82 ALDH1A1 (0.44) ALDH1A1CYP3A4ALOX15CES2CES1
SCHEMBL4687669 0.82 ALDH1A1 (0.52) ALDH1A1CYP3A4ALOX15HPGDKDM4E
Methane SCHEMBL5177350 0.80 ALDH1A1 (0.50) ALDH1A1CYP3A4ALOX15HPGDKDM4E
SCHEMBL354052 0.80 CYP3A4 (0.50) ALDH1A1CYP3A4ALOX15HPGDKDM4E
SCHEMBL29606274 0.80 CYP3A4 (0.50) ALDH1A1CYP3A4ALOX15HPGDKDM4E
SCHEMBL7429738 0.80 ALDH1A1 (0.51) ALDH1A1CYP3A4HPGDKDM4ELMNA
Hydrochloric Acid SCHEMBL10392666 0.80 ALDH1A1 (0.50) ALDH1A1CYP3A4ALOX15HPGDKDM4E
SCHEMBL2266902 0.79 ALDH1A1 (0.52) ALDH1A1ALOX15CES2CES1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2602300-B1 PHOTOCHROMIC COMPOSITION TOKUYAMA CORP (JP) 2019-06-12 EP disclosed
US-9234984-B2 Photochromic composition TOKUYAMA CORPORATION (JP) 2016-01-12 US disclosed
CN-103080269-B Photochromic composition TOKUYAMA CORP. (JP) 2015-12-16 CN disclosed
US-20150191607-A1 Anti-fouling Paints and Coatings REACTIVE SURFACES, LTD (US) 2015-07-09 US disclosed
US-20140196631-A1 VISUAL ASSAYS FOR COATINGS INCORPORATING BIOACTIVE ENZYMES FOR CATALYTIC FUNCTIONS REACTIVE SURFACE, LTD. (US) 2014-07-17 US disclosed
US-20130215488-A1 Photochromic Composition TOKUYAMA CORPORATION (JP) 2013-08-22 US disclosed
EP-2602300-A1 PHOTOCHROMIC COMPOSITION Tokuyama Corporation (JP) 2013-06-12 EP disclosed
CN-103080269-A Photochromic composition TOKUYAMA CORP 2013-05-01 CN disclosed
US-20120097194-A1 Polymeric Coatings Incorporating Bioactive Enzymes for Catalytic Function REACTIVE SURFACES, LTD. (US) 2012-04-26 US disclosed
US-20110250626-A1 Visual Assays for Coatings Incorporating Bioactive Enzymes for Catalytic Functions REACTIVE SURFACES, LTD. (US) 2011-10-13 US disclosed
US-7238771-B2 Dibenzodiazocine polymers SOLVAY ADVANCED POLYMERS, L.L.C. (US) 2007-07-03 US disclosed
EP-0964867-B1 TACHYKININ ANTAGONISTS NOVARTIS AG (CH) 2005-03-09 EP disclosed
EP-0566954-B1 Process for the preparation of isocyanate-prepolymers and their use in the production of coating agents BAYER AG (DE) 1996-06-12 EP disclosed
US-5508372-A POLYMERIZATION WITH HYDROXY ACRYLATE RESINS AND OPTIONAL POLYETHERS, POLYESTERS AND POLYCARBONATES; MOISTURE CURABLE BAYER AKTIENGESELLSCHAFT (DE) 1996-04-16 US disclosed
EP-0566954-A1 Process for the preparation of isocyanate-prepolymers and their use in the production of coating agents BAYER AG (DE) 1993-10-27 EP disclosed
US-5182336-A Compatibilizing agents, polyphenylene ether, alkenylaromatic polymer, polyamide, lactam SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-01-26 US disclosed
EP-0435504-A2 Thermoplastic resin composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-07-03 EP disclosed
US-4946990-A CHEMICAL INTERMEDIATE FOR THE PRODUCTION OF POLYURETHANES BAYER AKTIENGESELLSCHAFT (DE) 1990-08-07 US disclosed
US-4886902-A HEATING POLYISOCYANATE AND AMINE WITH SILYLATED HYDROXYL GROUP; REACTING ISOCYANATE-ACID HALIDE WITH PRODUCT BAYER AKTIENGESELLSCHAFT (DE) 1989-12-12 US disclosed
US-4870198-A SILYLATED ALCOHOL OR CARBOXYL GROUPS BAYER AKTIENGESELLSCHAFT (DE) 1989-09-26 US disclosed