SCHEMBL3293139

SCHEMBL3293139

O=[N+]([O-])c1cc([N+](=O)[O-])nc([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.52
TSHR P16473 4/20 0.48
ALDH1A1 P00352 4/20 0.46
LMNA P02545 3/20 0.44
HTT P42858 2/20 0.43
VCAM1 P19320 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TXNRD1 Q16881 1/20 0.42
TXNRD3 Q86VQ6 1/20 0.42
TXNRD2 Q9NNW7 1/20 0.42
CYP3A4 P08684 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 3/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL29115684 0.84 CYP19A1 (0.43) CYP19A1TSHRALDH1A1LMNAHTT
SCHEMBL7690047 0.84 ALDH1A1 (0.45) CYP19A1TSHRALDH1A1HTTCYP3A4
SCHEMBL7698043 0.77 ALDH1A1 (0.41) TSHRALDH1A1HTTMEN1KMT2A
SCHEMBL212845 0.76 CYP19A1 (0.81) CYP19A1TSHRALDH1A1LMNAHTT
SCHEMBL17997368 0.75 ALDH1A1 (0.33) CYP19A1TSHRALDH1A1LMNAHTT
SCHEMBL3293694 0.74 ALDH1A1 (0.35) CYP19A1TSHRALDH1A1LMNAHTT
SCHEMBL29395454 0.74 CYP19A1 (0.77) CYP19A1TSHRALDH1A1LMNAHTT
SCHEMBL9789472 0.74 CYP19A1 (0.77) CYP19A1TSHRALDH1A1LMNAHTT
SCHEMBL9789477 0.74 CYP19A1 (0.77) CYP19A1TSHRALDH1A1LMNAHTT
SCHEMBL16541066 0.74 CYP19A1 (0.77) CYP19A1TSHRALDH1A1LMNAHTT

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114682102-B Reverse osmosis membrane and preparation method thereof 沃顿科技股份有限公司 2023-06-27 CN claimed
CN-114682102-A Reverse osmosis membrane and preparation method thereof 沃顿科技股份有限公司 2022-07-01 CN claimed
US-10125058-B1 Encapsulated, particulate energetic composition and the making of same THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2018-11-13 US claimed
WO-2024098840-A1 ISOBUTYLENE-BASED CATIONIC SALT POLYMER, PREPARATION METHOD THEREFOR, USE THEREOF, AND ANTIBACTERIAL POLYMER MATERIAL 中国石油化工股份有限公司 2024-05-16 WO disclosed
CN-114682102-B Reverse osmosis membrane and preparation method thereof 沃顿科技股份有限公司 2023-06-27 CN disclosed
CN-111393360-B Nitrogen-enriched energetic ionic salt of 2,4, 6-trinitro-3-hydroxypyridine and preparation method thereof 信阳师范学院 2022-12-13 CN disclosed
CN-114682102-A Reverse osmosis membrane and preparation method thereof 沃顿科技股份有限公司 2022-07-01 CN disclosed
CN-111393360-A Nitrogen-rich energetic ionic salt of 2,4, 6-trinitro-3-hydroxypyridine and preparation method thereof 信阳师范学院 2020-07-10 CN disclosed
US-10125058-B1 Encapsulated, particulate energetic composition and the making of same THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2018-11-13 US disclosed
CN-101195672-B Method for producing olefin-copolymerization catalyst and method for producing olefin-copolymers SUMITOMO CHEMICAL CO 2011-07-06 CN disclosed
US-7732540-B2 Process for producing olefin copolymerization catalyst and process for producing olefin copolymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-08 US disclosed
US-20090018012-A1 Process for Producing Olefin Copolymerization Catalyst and Process for Producing Olefin Copolymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-01-15 US disclosed
CN-101195672-A Method for producing olefin-copolymerization catalyst and method for producing olefin-copolymers SUMITOMO CHEMICAL CO (JP) 2008-06-11 CN disclosed