SCHEMBL454461

SCHEMBL454461

CCCCCCCCCc1ccnc(-c2ccccn2)c1CCCCCCCCC

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP19A1 P11511 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
LIPG Q9Y5X9 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL29278701 1.00 CYP1A2 (0.42) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL8720801 1.00 CYP1A2 (0.42) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL28515301 1.00 CYP1A2 (0.42) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL27396593 1.00 CYP1A2 (0.42) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL3641432 0.94 CYP1A2 (0.44) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL28163760 0.89 CYP1A2 (0.40) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL16741937 0.87 CYP1A2 (0.43) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL30835110 0.85 CYP1A2 (0.38) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL29883487 0.85 KDM4E (0.41) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL4475658 0.84 LIPG (0.46) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119529184-A Polymer microsphere for environment and preparation method thereof 南充嘉源环保科技有限责任公司 2025-02-28 CN claimed
CN-115449922-B Preparation method of high-performance graphene fiber 马鞍山皖烯新材料科技有限公司 2024-04-19 CN claimed
CN-117417557-A Self-repairing polystyrene/azobenzene insulating film, and preparation method and application thereof 西安交通大学 2024-01-19 CN claimed
CN-114835110-B Application of star-shaped block polymer as dispersing agent in preparation of graphene dispersion liquid 合肥艾克思维新材料科技有限公司 2024-01-05 CN claimed
CN-113716557-B Preparation method of modified graphene oxide and method for preparing epoxy resin composite material by using modified graphene oxide 长春工业大学 2023-11-03 CN claimed
CN-114214017-B Bio-based epoxy underfill with high Tg and excellent thermal stability and preparation method thereof 烟台德邦科技股份有限公司 2023-05-23 CN claimed
CN-116023577-A Amphiphilic copper-containing polymer nanoparticle and preparation and application thereof 浙江大学 2023-04-28 CN claimed
CN-110922547-B Double-anchoring type block copolymer and preparation method and application thereof 安徽大学 2023-02-28 CN claimed
CN-115449922-A Preparation method of high-performance graphene fiber 马鞍山皖烯新材料科技有限公司 2022-12-09 CN claimed
CN-115181303-A Multifunctional polymer film and preparation method thereof 安徽大学 2022-10-14 CN claimed
CN-110565378-A Super-hydrophobic modified cotton fiber for oil-water separation and preparation method thereof 安徽大学 2019-12-13 CN claimed
CN-106883248-A A kind of small molecule material preparation method and applications based on condensed ring furans 中国科学院大学 2017-06-23 CN claimed
CN-106749778-A A kind of electrochemical regulating and controlling atom transfer radical polymerization method of nontoxic part 华中科技大学 2017-05-31 CN claimed
US-20120217444-A1 COMPOSITION AND METHOD FOR INHIBITING PREMATURE POLYMERIZATION GENERAL ELECTRIC COMPANY 2012-08-30 US claimed
WO-2012033800-A1 COMPOSITION AND METHOD FOR INHIBITING PREMATURE POLYMERIZATION GENERAL ELECTRIC COMPANY (US) 2012-03-15 WO claimed
EP-1499672-B1 METHOD FOR ATTACHMENT OF ONE OR MORE ORGANIC GROUPS ONTO A PARTICLE CABOT CORP (US) 2009-09-30 EP claimed
US-6852158-B2 Method for attachment of one or more organic groups onto a particle CABOT CORPORATION (US) 2005-02-08 US claimed
US-20040007161-A1 Method for attachment of one or more organic groups onto a particle CABOT CORPORATION 2004-01-15 US claimed
US-6437044-B1 Living radical graft copolymerization of vinyl monomers initiated from the structural defects of polyvinylchloride UNIVERSITY OF PENNSYLVANIA 2002-08-20 US claimed
WO-2002059171-A2 LIVING RADICAL GRAFT COPOLYMERIZATION OF VINYL MONOMERS INITIATED FROM THE STRUCTURAL DEFECTS OF POLYVINYLCHLORIDE THE UNIVERSITY OF PENNSYLVANIA (US) 2002-08-01 WO claimed