SCHEMBL1847802

SCHEMBL1847802

O=[N+]([O-])c1ccc(-c2ccc(S)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.55
CA2 P00918 4/20 0.55
CA12 O43570 3/20 0.55
CA9 Q16790 3/20 0.55
CA14 Q9ULX7 3/20 0.55
APP P05067 1/20 0.54
LMNA P02545 3/20 0.52
MAPT P10636 2/20 0.52
ALDH1A1 P00352 4/20 0.50
HSD17B10 Q99714 2/20 0.50
ACHE P22303 1/20 0.50
POLB P06746 1/20 0.50
MAPK1 P28482 1/20 0.50
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
CES1 P23141 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.45
CA3 P07451 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45

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
SCHEMBL8764904 0.93 ALDH1A1 (0.56) CA1CA2CA12CA9CA14
SCHEMBL1362 0.93 ALDH1A1 (0.56) CA1CA2CA12CA9CA14
Hydrogen Sulfide SCHEMBL28277423 0.90 ALDH1A1 (0.54) CA1CA2CA12CA9CA14
SCHEMBL9804074 0.90 ALDH1A1 (0.54) CA1CA2CA12CA9CA14
Fluoride SCHEMBL29135590 0.90 ALDH1A1 (0.54) CA1CA2CA12CA9CA14
SCHEMBL7143035 0.90 ALDH1A1 (0.54) CA1CA2CA12CA9CA14
Fluoride SCHEMBL29094702 0.90 ALDH1A1 (0.54) CA1CA2CA12CA9CA14
SCHEMBL8934653 0.90 ALDH1A1 (0.54) CA1CA2CA12CA9CA14
Potassium Ion SCHEMBL7143040 0.90 ALDH1A1 (0.54) CA1CA2CA12CA9CA14
SCHEMBL6423919 0.87 CA1 (0.67) CA1CA2CA12CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109459423-A Active biosensor of a kind of detection uracilase (UDG) and preparation method thereof 济南大学 2019-03-12 CN claimed
WO-2016050492-A1 HETEROSTRUCTURE COMPRISING A CARBON NANOMEMBRANE CNM TECHNOLOGIES GMBH (DE) 2016-04-07 WO claimed
US-20160093806-A1 Heterostructure Comprising A Carbon Nanomembrane CNM TECHNOLOGIES GMBH (DE) 2016-03-31 US claimed
US-5412044-A Nitro group terminated mesogenic epoxy resin adducts THE DOW CHEMICAL COMPANY (US) 1995-05-02 US claimed
US-10794908-B2 Functionalized nanomembrane, a method for preparation thereof and their use MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2020-10-06 US disclosed
CN-111333759-A Preparation method of zwitterionic polymer pattern on surface of solid substrate 青岛科技大学 2020-06-26 CN disclosed
US-20180017558-A1 FUNCTIONALIZED NANOMEMBRANE, A METHOD FOR PREPARATION THEREOF AND THEIR USE MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2018-01-18 US disclosed
CN-107249731-A Functionalized nanomembranes, methods of making and uses thereof 约翰-沃尔福冈-歌德大学 2017-10-13 CN disclosed
US-9735366-B2 Heterostructure comprising a carbon nanomembrane CNM TECHNOLOGIES GMBH (DE) 2017-08-15 US disclosed
US-9458019-B2 Graphite layers UNIVERSITÄT BIELEFELD (DE) 2016-10-04 US disclosed
EP-3050620-A1 Functionalized nanomembrane, a method for preparation thereof and their use Johann Wolfgang Goethe-Universität, Frankfurt am Main (DE) 2016-08-03 EP disclosed
WO-2016050492-A1 HETEROSTRUCTURE COMPRISING A CARBON NANOMEMBRANE CNM TECHNOLOGIES GMBH (DE) 2016-04-07 WO disclosed
US-6764758-B1 Surface-modified layer system UNIVERSITAT HEIDELBERG (DE) 2004-07-20 US disclosed
EP-1222498-A2 SURFACE-MODIFIED LAYER SYSTEM Universität Heidelberg (DE) 2002-07-17 EP disclosed
WO-2001023962-A2 SURFACE-MODIFIED LAYER SYSTEM Universität Heidelberg (DE) 2001-04-05 WO disclosed
WO-1997013748-A1 SULFOXIDE DERIVATIVES OF NITROGEN-MUSTARD AND ANTICANCER AGENT CONTAINING THE SAME CHONG KUN DANG CORP. (KR) 1997-04-17 WO disclosed
US-5464912-A Adduct with rodlike mesogenic moiety, adduct made by reacting polyepoxide with nitro/so/ compound having epoxy-reactive hydrogen; conversion of hydroxyl product to ether, ester, halide, urethane, ketone, alkane; reducing nitro/so/ to amine THE DOW CHEMICAL COMPANY (US) 1995-11-07 US disclosed
US-5412044-A Nitro group terminated mesogenic epoxy resin adducts THE DOW CHEMICAL COMPANY (US) 1995-05-02 US disclosed
US-5344898-A Curable composition with stilbene groups and molecular orientation THE DOW CHEMICAL COMPANY (US) 1994-09-06 US disclosed
US-5298575-A Consists of at least one compound having more than one vicinal epoxide group and at least one amine terminated adduct containing one or more mesogenic moities THE DOW CHEMICAL COMPANY (US) 1994-03-29 US disclosed