SCHEMBL384635

SCHEMBL384635

O=[N+]([O-])c1ccccc1C(OC(c1ccccc1)c1ccccc1[N+](=O)[O-])c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.50
ALDH1A1 P00352 6/20 0.49
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 5/20 0.43
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 1/20 0.41
RECQL P46063 1/20 0.41
RAB9A P51151 1/20 0.41
CA1 P00915 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP7 P55210 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
PTPRC P08575 1/20 0.39
S100A4 P26447 1/20 0.39
GPR35 Q9HC97 1/20 0.38

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
SCHEMBL2777973 0.89 ALDH1A1 (0.54) CYP1A2ALDH1A1TSHRTDP1HSD17B10
SCHEMBL2777976 0.87 TSHR (0.45) CYP1A2ALDH1A1TSHRTDP1HSD17B10
SCHEMBL10483637 0.87 ALDH1A1 (0.44) CYP1A2ALDH1A1TSHRTDP1NPC1
SCHEMBL11510417 0.85 TDP1 (0.53) CYP1A2ALDH1A1TSHRTDP1HSD17B10
SCHEMBL11380771 0.85 IDO1 (0.44) CYP1A2ALDH1A1TSHRTDP1HSD17B10
SCHEMBL1456068 0.83 CYP1A2 (0.45) CYP1A2ALDH1A1TSHRTDP1HSD17B10
SCHEMBL27597732 0.83 IDO1 (0.44) CYP1A2ALDH1A1TSHRTDP1MAPK1
SCHEMBL4622230 0.81 CRHBP (0.41) CYP1A2ALDH1A1TSHRTDP1MAPK1
SCHEMBL29529500 0.81 CYP1A2 (0.50) CYP1A2ALDH1A1TSHRTDP1KMT2A
SCHEMBL112492 0.81 CYP1A2 (0.50) CYP1A2ALDH1A1TSHRTDP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7422855-B2 Multiplexing assays for analyte detection PERKINELMER LAS, INC. (US) 2008-09-09 US claimed
CN-107690582-B Apparatus and method for sample analysis 雅培制药有限公司 2023-10-20 CN disclosed
US-20230302453-A1 DEVICES AND METHODS FOR SAMPLE ANALYSIS ABBOTT LABORATORIES (US) 2023-09-28 US disclosed
CN-112892628-B Apparatus and method for sample analysis 雅培制药有限公司 2023-08-15 CN disclosed
US-11633738-B2 Devices and methods for sample analysis ABBOTT LABORATORIES (IL) 2023-04-25 US disclosed
EP-3523640-B1 DEVICES FOR SAMPLE ANALYSIS ABBOTT LAB (US) 2023-01-18 EP disclosed
US-11369963-B2 Devices and methods for sample analysis ABBOTT LABORATORIES (US) 2022-06-28 US disclosed
US-20220126296-A1 DEVICES AND METHODS FOR SAMPLE ANALYSIS ABBOTT LABORATORIES 2022-04-28 US disclosed
US-11198129-B2 Devices and methods for sample analysis ABBOTT LABORATORIES (US) 2021-12-14 US disclosed
CN-109863396-B Device and method for sample analysis 雅培实验室 2021-11-05 CN disclosed
WO-1998011036-A1 ATTACHED TAGS FOR USE IN COMBINATORIAL CHEMISTRY SYNTHESIS ABBOTT LABORATORIES (US) 1998-03-19 WO disclosed
EP-0828729-A1 COLLECTION OF ACTIVATED GLYCOSIDE COMPOUNDS AND THEIR BIOLOGICAL USE GLYCOMED INCORPORATED (US) 1998-03-18 EP disclosed
US-5721099-A Complex combinatorial chemical libraries encoded with tags TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 1998-02-24 US disclosed
EP-0755514-A1 COMPLEX COMBINATORIAL CHEMICAL LIBRARIES ENCODED WITH TAGS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 1997-01-29 EP disclosed
WO-1996036627-A1 COLLECTION OF ACTIVATED GLYCOSIDE COMPOUNDS AND THEIR BIOLOGICAL USE GLYCOMED INCORPORATED (US) 1996-11-21 WO disclosed
US-5565324-A FOR IDENTIFICATION OF NON-OLIGOMERIC COMPOUND, USING SOLID SUPPORT THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 1996-10-15 US disclosed
WO-1995028640-A1 COMPLEX COMBINATORIAL CHEMICAL LIBRARIES ENCODED WITH TAGS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 1995-10-26 WO disclosed
EP-0665897-A4 COMPLEX COMBINATORIAL CHEMICAL LIBRARIES ENCODED WITH TAGS. UNIV COLUMBIA (US) 1995-09-27 EP disclosed
EP-0665897-A1 COMPLEX COMBINATORIAL CHEMICAL LIBRARIES ENCODED WITH TAGS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 1995-08-09 EP disclosed
WO-1994008051-A1 COMPLEX COMBINATORIAL CHEMICAL LIBRARIES ENCODED WITH TAGS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 1994-04-14 WO disclosed