SCHEMBL5604297

SCHEMBL5604297

O=[N+]([O-])c1cccc(CCl)c1[N+](=O)[O-]

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.69
ALDH1A1 P00352 4/20 0.69
GPR35 Q9HC97 2/20 0.53
TDP1 Q9NUW8 3/20 0.47
HPGD P15428 1/20 0.44
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
S100A4 P26447 1/20 0.40
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
RECQL P46063 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
TXNRD1 Q16881 1/20 0.39
TXNRD3 Q86VQ6 1/20 0.39
TXNRD2 Q9NNW7 1/20 0.39

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
SCHEMBL11327230 0.82 TSHR (0.55) TSHRALDH1A1GPR35TDP1HPGD
SCHEMBL3037173 0.82 TSHR (0.55) TSHRALDH1A1GPR35TDP1HPGD
SCHEMBL2480650 0.82 TSHR (0.60) TSHRALDH1A1GPR35TDP1HPGD
SCHEMBL30261877 0.82 ALDH1A1 (1.00) TSHRALDH1A1TDP1HPGDMAPT
SCHEMBL69613 0.82 ALDH1A1 (1.00) TSHRALDH1A1TDP1HPGDMAPT
SCHEMBL69094 0.81 TSHR (0.53) TSHRALDH1A1GPR35TDP1MAPT
SCHEMBL18224179 0.81 ALDH1A1 (0.69) TSHRALDH1A1GPR35TDP1HPGD
SCHEMBL11693636 0.81 ALDH1A1 (0.69) TSHRALDH1A1GPR35TDP1HPGD
SCHEMBL9723891 0.81 TSHR (0.53) TSHRALDH1A1GPR35TDP1HPGD
SCHEMBL1167739 0.81 TSHR (0.53) TSHRALDH1A1GPR35TDP1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240200070-A1 EXPANDING THE CHEMICAL SUBSTRATES FOR GENETIC CODE REPROGRAMMING THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2024-06-20 US disclosed
US-11814621-B2 Expanding the chemical substrates for genetic code reprogramming NORTHWESTERN UNIVERSITY (US) 2023-11-14 US disclosed
US-20230295613-A1 LONG CHAIN CARBON AND CYCLIC AMINO ACIDS SUBSTRATES FOR GENETIC CODE REPROGRAMMING THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2023-09-21 US disclosed
CN-109423309-B Liquid crystal alignment agent, liquid crystal alignment film and liquid crystal display assembly 奇美实业股份有限公司 2023-08-04 CN disclosed
CN-115867648-A Extension of chemical substrates for genetic code reprogramming to include long chain carbons and cyclic amino acids 西北大学 2023-03-28 CN disclosed
EP-4103734-A2 LONG CHAIN CARBON AND CYCLIC AMINO ACIDS SUBSTRATES FOR GENETIC CODE REPROGRAMMING Northwestern University (US) 2022-12-21 EP disclosed
WO-2021221760-A2 EXPANDING THE CHEMICAL SUBSTRATES FOR GENETIC CODE REPROGRAMMING TO INCLUDE LONG CHAIN CARBON AND CYCLIC AMINO ACIDS NORTHWESTERN UNIVERSITY (US) 2021-11-04 WO disclosed
US-20210230586-A1 Expanding the Chemical Substrates for Genetic Code Reprogramming BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS, THE 2021-07-29 US disclosed
WO-2020128675-A1 SUBSTITUTED 1,2,4-OXADIAZOLE, ITS APPLICATION AND A PHARMACEUTICAL PREPARATION COMPRISING IT SVENOX PHARMACEUTICALS LLC (US) 2020-06-25 WO disclosed
WO-2020040840-A2 EXPANDING THE CHEMICAL SUBSTRATES FOR GENETIC CODE REPROGRAMMING NORTHWESTERN UNIVERSITY (US) 2020-02-27 WO disclosed
EP-0723962-B1 Arylalkyl-thiadiazinones MERCK PATENT GMBH (DE) 2001-07-04 EP disclosed
US-6025354-A Arylalkyl-thiadiazinones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-02-15 US disclosed
US-5747489-A Arylalkyl-thiadiazinones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-05-05 US disclosed
EP-0738715-A2 Arylalkyl-pyridazinones MERCK PATENT GmbH (DE) 1996-10-23 EP disclosed
EP-0723962-A1 Arylalkyl-thiadiazinones MERCK PATENT GmbH (DE) 1996-07-31 EP disclosed
EP-0452725-B1 Fluorine containing diaminobenzene derivatives and its use SAGAMI CHEM RES (JP) 1995-11-08 EP disclosed
EP-0635533-A1 Polyimide-based liquid crystal aligning agent SAGAMI CHEMICAL RESEARCH CENTER (JP) 1995-01-25 EP disclosed
US-5153304-A Polyimides; liquid crystal tilting agent; water-repelling SAGAMI CHEMICAL RESEARCH CENTER (JP) 1992-10-06 US disclosed
US-5144078-A Polyimide intermediates SAGAMI CHEMICAL RESEARCH CENTER (JP) 1992-09-01 US disclosed
EP-0452725-A2 Fluorine containing diaminobenzene derivatives and its use SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-10-23 EP disclosed