SCHEMBL9848798

SCHEMBL9848798

Cc1[c]cc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
MAPK1 P28482 1/20 0.41
VCAM1 P19320 9/20 0.41
CYP3A4 P08684 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 3/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
HIF1A Q16665 1/20 0.39
TXNRD1 Q16881 1/20 0.39
TXNRD3 Q86VQ6 1/20 0.39
TXNRD2 Q9NNW7 1/20 0.39
GPR35 Q9HC97 2/20 0.38
PGK1 P00558 1/20 0.37

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
SCHEMBL6239786 0.85 TSHR (0.46) TSHRMAPK1VCAM1CYP3A4ALDH1A1
SCHEMBL6811567 0.81
SCHEMBL909526 0.80 TSHR (0.44) TSHRMAPK1VCAM1CYP3A4ALDH1A1
SCHEMBL15063757 0.80 TSHR (0.46) TSHRCYP3A4ALDH1A1TDP1HPGD
SCHEMBL6282528 0.78 TSHR (0.42) TSHRMAPK1VCAM1CYP3A4ALDH1A1
SCHEMBL6255476 0.77 ALDH1A1 (0.49) TSHRMAPK1VCAM1CYP3A4ALDH1A1
SCHEMBL28847435 0.77 TSHR (0.52) TSHRCYP3A4ALDH1A1TDP1ALOX15
SCHEMBL15063896 0.76 MAPT (0.43) TSHRCYP3A4ALDH1A1TDP1HPGD
SCHEMBL13836301 0.73 TDP1 (0.46) TSHRVCAM1CYP3A4ALDH1A1TDP1
SCHEMBL21000996 0.73 TSHR (0.47) TSHRCYP3A4ALDH1A1TDP1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0164018-B1 CHROMOGENIC 4,4-DIARYL-DIHYDROQUINAZOLONES, THEIR PREPARATION AND USE BAYER AG (DE) 1990-10-31 EP claimed
EP-0201194-B1 DIABROTICA LARVICIDAL AGENTS ELI LILLY AND COMPANY (US) 1990-10-31 EP claimed
US-4695633-A Chromogenic 4,4-diaryl-dihydroquinazolones, their preparation and their use BAYER AKTIENGESELLSCHAFT (DE) 1987-09-22 US claimed
EP-0201194-A2 Diabrotica larvicidal agents ELI LILLY AND COMPANY (US) 1986-11-12 EP claimed
CN-86102202-A The preparation method of the chrysomelid genus of bar larva agent for killing 1986-10-01 CN claimed
EP-0164018-A2 Chromogenic 4,4-diaryl-dihydroquinazolones, their preparation and use BAYER AG (DE) 1985-12-11 EP claimed
CN-108473498-B Pyrazolo [1,5a ] pyrimidine derivatives as IRAK4 modulators 豪夫迈·罗氏有限公司 2021-11-02 CN disclosed
CN-103987698-B 2-phenylaminopyrimidine derivatives as kinase LRRK2 modulators for the treatment of Parkinson's disease HOFFMAN-LA ROCHE LTD. (CH) 2016-04-20 CN disclosed
CN-103987698-A 2-Phenylaminopyrimidine derivatives as kinase LRRK2 modulators for the treatment of Parkinson's disease HOFFMANN LA ROCHE 2014-08-13 CN disclosed
CN-102304075-A Inhibitors of viral replication INTERMUNE INC 2012-01-04 CN disclosed
CN-101384591-A Antiviral compounds ABBOTT LAB (US) 2009-03-11 CN disclosed
CN-101304976-A Inhibitors of viral replication INTERMUNE INC (US) 2008-11-12 CN disclosed
CN-1012786-B The chrysomelid genus of bar kills young agent LILLY CO ELI (US) 1991-06-12 CN disclosed
EP-0201194-A2 Diabrotica larvicidal agents ELI LILLY AND COMPANY (US) 1986-11-12 EP disclosed
CN-86102202-A The preparation method of the chrysomelid genus of bar larva agent for killing 1986-10-01 CN disclosed
CN-86102202-A The preparation method of the chrysomelid genus of bar larva agent for killing 1986-10-01 CN disclosed
EP-0187329-A1 Chromogenic 3,1-benzoxazines BAYER AG (DE) 1986-07-16 EP disclosed
EP-0180813-A1 Chromogenic 4,4-diaryldihydrochinazolones, their preparation and use BAYER AG (DE) 1986-05-14 EP disclosed
EP-0179378-A1 Chromogenic 4,4-diaryl-2-oxobenzo-3,1-oxazines, their preparation and use BAYER AG (DE) 1986-04-30 EP disclosed
EP-0164018-A2 Chromogenic 4,4-diaryl-dihydroquinazolones, their preparation and use BAYER AG (DE) 1985-12-11 EP disclosed