SCHEMBL3077412

SCHEMBL3077412

O=[N+]([O-])c1ccc(F)c([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.52
ATM Q13315 1/20 0.52
ALDH1A1 P00352 3/20 0.50
HIF1A Q16665 2/20 0.50
VCAM1 P19320 1/20 0.47
TSHR P16473 6/20 0.47
MAPK1 P28482 1/20 0.47
CASP6 P55212 1/20 0.46
GPR35 Q9HC97 1/20 0.45
TXNRD1 Q16881 1/20 0.43
TXNRD3 Q86VQ6 1/20 0.43
TXNRD2 Q9NNW7 1/20 0.43
MAPT P10636 2/20 0.41
POLB P06746 2/20 0.41
CYP3A4 P08684 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 2/20 0.38
KDM4E B2RXH2 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
SCHEMBL30946522 1.00 TDP1 (0.52) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL7513494 0.88 ALDH1A1 (0.48) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL3302919 0.85 TSHR (0.56) TDP1ATMALDH1A1HIF1ATSHR
SCHEMBL30924883 0.84 TDP1 (0.50) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL825499 0.84 TDP1 (0.50) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL73931 0.84 TDP1 (0.50) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL10526798 0.81 TDP1 (0.48) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL15347823 0.81 TDP1 (0.47) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL397110 0.81 TDP1 (0.52) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL8817806 0.81 TDP1 (0.47) TDP1ATMALDH1A1HIF1AVCAM1

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
CN-118179542-A Carbon-based catalyst, and preparation method and application thereof 中国石油化工股份有限公司 2024-06-14 CN claimed
US-20220193475-A1 ZERO-VALENT METAL AND BLACK CARBON FRAMEWORK AND METHOD OF USING SAME MUNIREM ENVIRONMENTAL, LLC 2022-06-23 US claimed
CN-118179542-A Carbon-based catalyst, and preparation method and application thereof 中国石油化工股份有限公司 2024-06-14 CN disclosed
US-20220193475-A1 ZERO-VALENT METAL AND BLACK CARBON FRAMEWORK AND METHOD OF USING SAME MUNIREM ENVIRONMENTAL, LLC 2022-06-23 US disclosed
CN-113943432-A Mask with long-acting sterilization function 孙国明 2022-01-18 CN disclosed
EP-3423096-A1 POLYMALIC ACID BASED NANOIMMUNOCONJUGATES AND USES THEREOF Cedars-Sinai Medical Center (US) 2019-01-09 EP disclosed
CN-108341840-A The preparation method of Ceftaroline Fosamil 深圳华润九新药业有限公司 2018-07-31 CN disclosed
US-20140113371-A1 Cryopreservation of Haptenized Tumor Cells BERD DAVID (US) 2014-04-24 US disclosed
US-8435784-B2 Cryopreservation of haptenized tumor cells THOMAS JEFFERSON UNIVERSITY 2013-05-07 US disclosed
CN-102283899-B Traditional Chinese medicine external preparation and application thereof HUNAN PUTIANCHUN BIOLOG TECHNOLOGY CO LTD 2012-06-27 CN disclosed
CN-102283899-A Traditional Chinese medicine external preparation and application thereof 2011-12-21 CN disclosed
WO-2001056612-A9 ANIMAL MODEL FOR TESTING OF IMMUNOTHERAPIES UNIV ILLINOIS (US) 2002-10-24 WO disclosed
US-20020009469-A1 Low dose haptenized tumor cell and tumor cell extract immunotherapy THOMAS JEFFERSON UNIVERSITY 2002-01-24 US disclosed
US-20010046502-A1 Animal model for testing immunotherapies of spontaneous metastatic disease THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2001-11-29 US disclosed
WO-2001056612-A2 ANIMAL MODEL FOR TESTING OF IMMUNOTHERAPIES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2001-08-09 WO disclosed
WO-2001056601-A2 LOW DOSE HAPTENIZED TUMOR CELL AND TUMOR CELL EXTRACT IMMUNOTHERAPY THOMAS JEFFERSON UNIVERSITY (US) 2001-08-09 WO disclosed
WO-2000038710-A2 DUAL HAPTEN MODIFIED TUMOR CELLS AND TUMOR POLYPEPTIDES AND METHODS OF TREATING CANCER THOMAS JEFFERSON UNIVERSITY (US) 2000-07-06 WO disclosed
CN-1198947-A Chinese medicine as immunity regulator and its preparation process WEI QILIAN (CN) 1998-11-18 CN disclosed
US-5106762-A Hydrophilic oligopeptides containing luminescent or fluorescent labels and metal or ammonium salt groups; immunoassay; water solubility; sensitivity GEORGETOWN UNIVERSITY (US) 1992-04-21 US disclosed
WO-1991016344-A1 LIGAND-LABEL CONJUGATES WHICH CONTAIN POLYOXOANIONS OF SULFUR OR PHOSPHORUS GEORGETOWN UNIVERSITY (US) 1991-10-31 WO disclosed