SCHEMBL27066

SCHEMBL27066

O=C=Nc1ccc(N=C=O)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.50
TDP1 Q9NUW8 4/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
CYP1A2 P05177 2/20 0.40
ABCB11 O95342 1/20 0.40
NR3C1 P04150 1/20 0.40
ADRA2A P08913 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
ALOX15 P16050 1/20 0.40
ADRA2C P18825 1/20 0.40
MAOA P21397 1/20 0.40
DRD1 P21728 1/20 0.40
SLC6A4 P31645 1/20 0.40
HTR2B P41595 1/20 0.40
CCR2 P41597 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TRPA1 O75762 1/20 0.39
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37

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
SCHEMBL29405309 1.00 CYP3A4 (0.50) CYP3A4TDP1ALDH1A1HPGDCYP1A2
SCHEMBL11382980 0.93 CYP3A4 (0.45) CYP3A4TDP1ALDH1A1HPGDCYP1A2
SCHEMBL28189098 0.93 CYP3A4 (0.45) CYP3A4TDP1ALDH1A1HPGDCYP1A2
SCHEMBL22210 0.90 CYP3A4 (0.62) CYP3A4TDP1ALDH1A1HPGDCYP1A2
SCHEMBL29370250 0.90 CYP3A4 (0.62) CYP3A4TDP1ALDH1A1HPGDCYP1A2
SCHEMBL11664855 0.87 CYP1A2 (0.52) CYP3A4TDP1ALDH1A1HPGDCYP1A2
SCHEMBL5786288 0.87 CYP3A4 (0.41) CYP3A4TDP1ALDH1A1HPGDCYP1A2
SCHEMBL1969589 0.87 CYP1A2 (0.52) CYP3A4TDP1ALDH1A1HPGDCYP1A2
SCHEMBL9517280 0.85 CYP3A4 (0.39) CYP3A4TDP1ALDH1A1HPGDCYP1A2
SCHEMBL1971208 0.84 IMPDH2 (0.44) CYP3A4ALDH1A1MAPT

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

Appears in 6259 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240240069-A1 POLYMERIZATION OF A SILANE-MODIFIED POLYMER, WHICH IS PRODUCED BY MEANS OF A RADICAL CHAIN POLYMERIZATION, IN A POLYOL OR IN A PREPOLYMER WITH TERMINAL ISOCYANATE GROUPS, AND USE THEREOF IN POLYURETHANE FORMULATIONS FOLLMANN GMBH & CO. KG (DE) 2024-07-18 US claimed
CN-118290690-A Thermoplastic polyurethane for large-caliber extrusion and preparation method thereof 万华化学集团股份有限公司 2024-07-05 CN claimed
CN-118265735-A Electrodeposition coating composition and preparation thereof 巴斯夫涂料有限公司 2024-06-28 CN claimed
WO-2024083887-A1 FREE-RADICAL POLYMERISATION OF UV-CROSSLINKING SILANE ACRYLATES IN AN ISOCYANATE-CONTAINING POLYURETHANE MATRIX FOLLMANN GMBH & CO. KG (DE) 2024-04-25 WO claimed
CN-117820601-A Naphthalene diisocyanate composition, preparation method and application thereof 万华化学集团股份有限公司 2024-04-05 CN claimed
WO-2024068129-A1 NOVEL POLYURETHANE OR POLYURETHANE-UREA COMPOSITION WITH ENHANCED LOW TEMPERATURE PERFORMANCE INGEVITY UK LTD. (GB) 2024-04-04 WO claimed
US-20240110002-A1 NOVEL POLYURETHANE OR POLYURETHANE-UREA COMPOSITION WITH ENHANCED LOW TEMPERATURE PERFORMANCE INGEVITY UK LTD (GB) 2024-04-04 US claimed
EP-4326795-A1 POLYMERIZATION OF A SILANE-MODIFIED POLYMER, WHICH IS PRODUCED BY MEANS OF A RADICAL CHAIN POLYMERIZATION, IN A POLYOL OR IN A PREPOLYMER WITH TERMINAL ISOCYANATE GROUPS, AND USE THEREOF IN POLYURETHANE FORMULATIONS Follmann GmbH & Co. KG (DE) 2024-02-28 EP claimed
CN-117396530-A Polymerization of silane-modified polymers produced by free-radical chain polymerization in polyols or prepolymers having terminal isocyanate groups and their use in polyurethane formulations 福漫有限责任两合公司 2024-01-12 CN claimed
CN-114672061-B Isocyanate-based foamable polymers 普罗普里特公司 2024-01-05 CN claimed
EP-0246473-A1 Acrylic modified reactive urethane hot melt adhesive compositions National Starch and Chemical Corporation (US) 1987-11-25 EP claimed
EP-0104654-B1 ANTHRACYCLINE GLYCOSIDES, THEIR PREPARATION AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1987-10-21 EP claimed
US-4587273-A POLYETHERURETHANE COPOLYMER IKEDA BUSSAN CO., LTD. (JP) 1986-05-06 US claimed
US-4396738-A ADDITION POLYMER, PARTIALLY BLOCKED POLYISOCYANATE ASHLAND OIL, INC. (US) 1983-08-02 US claimed
EP-0048117-A2 In-mold coating compositions containing a non-isocyanate-reactive unsaturated resin, a non-isocyanate-reactive monomer and a free isocyanate-containing compound ICI AMERICAS INC. (US) 1982-03-24 EP claimed
US-4321350-A Process for the catalytic setting of polyurethane molding compositions GAMBRO DIALYSATOREN KG (DE) 1982-03-23 US claimed
US-4105622-A PROCESS FOR THE PREPARATION OF FLAME RETARDANT THERMOPLASTIC RESIN COMPOSITIONS DAINIPPON INC. & CHEMICALS INC. (JP) 1978-08-08 US claimed
US-4100118-A POLYGLYCIDYL ESTER OF A FATTY ACID, ISOCYANATE COMPOUND AND CURING CATALYST, THERMAL RESISTANCE, THERMAL SHOCK RESISTANCE HITACHI, LTD. (JP) 1978-07-11 US claimed
US-4048253-A HEAT TREATMENT FUJI PHOTO FILM CO., LTD. (JA) 1977-09-13 US claimed
US-3937673-A DIELECTRICS PHELPS DODGE INDUSTRIES, INC. (US) 1976-02-10 US claimed