SCHEMBL7984176

SCHEMBL7984176

N=C=O.O=C=Nc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.48
TSHR P16473 1/20 0.48
MIF P14174 1/20 0.48
MAPK1 P28482 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
ALDH1A1 P00352 2/20 0.39
TRPA1 O75762 2/20 0.38
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
CYP1A2 P05177 1/20 0.35
MAPT P10636 4/20 0.33
RAB9A P51151 2/20 0.33
JAK2 O60674 1/20 0.33
S1PR4 O95977 1/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HTR3E A5X5Y0 1/20 0.32
SLC22A2 O15244 1/20 0.32
SLC22A1 O15245 1/20 0.32
SLC22A3 O75751 1/20 0.32

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
SCHEMBL28893803 1.00 CYP3A4 (0.48) CYP3A4TSHRMIFMAPK1TDP1
SCHEMBL28583699 1.00 CYP3A4 (0.48) CYP3A4TSHRMIFMAPK1TDP1
Methane SCHEMBL11855207 0.98 CYP3A4 (0.46) CYP3A4TSHRMIFMAPK1TDP1
SCHEMBL5925 0.92
SCHEMBL19459346 0.92 MIF (0.55) CYP3A4TSHRMIFMAPK1TDP1
SCHEMBL245090 0.92 MIF (0.55) CYP3A4TSHRMIFMAPK1TDP1
Benzene SCHEMBL11510532 0.92 MIF (0.55) CYP3A4TSHRMIFMAPK1TDP1
SCHEMBL1332539 0.92
Isothiocyanate SCHEMBL28374280 0.91 MIF (0.56) CYP3A4TSHRMIFMAPK1TDP1
Hydrochloric Acid SCHEMBL10809249 0.90 MIF (0.52) CYP3A4TSHRMIFMAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109852223-A It is a kind of for coating woodenware surface to realize the aqueous formulation of nature haptic effect 兰州科天水性高分子材料有限公司 2019-06-07 CN claimed
CN-109642013-A Highly filled solvent-based adhesion agent composition and its manufacturing method 陶氏环球技术有限责任公司 2019-04-16 CN claimed
CN-109642011-A Highly filled solvent-based adhesion agent composition and its manufacturing method 陶氏环球技术有限责任公司 2019-04-16 CN claimed
CN-109642075-A Foamed isocyanate-based polymers 普罗普里特公司 2019-04-16 CN claimed
CN-109642005-A Bi-component adhesion agent composition and preparation method 陶氏环球技术有限责任公司 2019-04-16 CN claimed
CN-109575192-A A kind of emulsifier-free aqueous polyurethane acrylate hydrophobic lotions and preparation method thereof 华南理工大学 2019-04-05 CN claimed
CN-106146840-B A kind of Polyimide foams and preparation method thereof 北京市射线应用研究中心 2019-02-01 CN claimed
CN-109148790-A A kind of porous septum, preparation method and lithium battery 微宏动力系统(湖州)有限公司 2019-01-04 CN claimed
CN-109019574-A A kind of preparation method of the grapheme material modified for polyurethane material 成都新柯力化工科技有限公司 2018-12-18 CN claimed
CN-108894010-A The synthetic leather preparation method of vapor deposition doping hydrolysis and self-cleaning polyurethane 浙江旭川树脂有限公司 2018-11-27 CN claimed
CN-108659516-A Blending-type polyurethane crosslinked foaming material and preparation method thereof 广州顺力聚氨酯科技有限公司 2018-10-16 CN claimed
US-4739028-A REACTED WITH A DIEPOXIDE HAVING DIFFERENT REACTIVITY IN EACH GROUP CANADIAN PATENTS & DEVELOPMENT LIMITED (CA) 1988-04-19 US claimed
US-20200354538-A1 COMPOSITIONS COMPRISING E-1,1,1,4,4,4-HEXAFLUORO-2-BUTENE AND USES THEREOF THE CHEMOURS COMPANY FC, LLC (US) 2020-11-12 US disclosed
CN-110465468-A The method for forming multilayer film KANSAI PAINT CO LTD 2019-11-19 CN disclosed
CN-106750171-B Ventilative high-temperature-resistant glove leather polyurethane resin and preparation method 浙江华峰合成树脂有限公司 2019-11-08 CN disclosed
CN-110373148-A Adhesive is used in a kind of stickup of home appliance panel 上海回天新材料有限公司 2019-10-25 CN disclosed
CN-103842585-A Press sleeve for a shoe press or conveyor belt based on crosslinked polyurethane formed from mdi-polycarbonate prepolymer VOITH PATENT GMBH 2014-06-04 CN disclosed
CN-102666743-A Smear resistant inkjet inks DU PONT 2012-09-12 CN disclosed
CN-101495530-A Polytrimethylene ether-based polyurethane ionomers DU PONT (US) 2009-07-29 CN disclosed
WO-2001007431-A2 BENZOTHIOPHENE DERIVATIVES ELI LILLY AND COMPANY (US) 2001-02-01 WO disclosed