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Sugi Predict / Compounds / SCHEMBL188305

SCHEMBL188305

SCHEMBL188305

CC(c1cccc(C(C)[N+](=O)[O-])c1)[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CRHBP P24387 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ HPGD P15428 3/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ TDP1 Q9NUW8 5/20 0.37
▸ ALDH1A1 P00352 5/20 0.37
▸ APP P05067 1/20 0.37
▸ MAPT P10636 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ HTT P42858 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ MDM4 O15151 1/20 0.35

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
SCHEMBL6834105 0.86 ALDH1A1 (0.48) TSHRLMNACRHBPCRHR2HPGD
SCHEMBL4000996 0.85 TSHR (0.33) TSHRLMNAHPGDKMT2AMEN1
SCHEMBL20680909 0.84 KDM4E (0.45) TSHRLMNACRHBPCRHR2KMT2A
SCHEMBL264411 0.84 KDM4E (0.45) TSHRLMNACRHBPCRHR2KMT2A
SCHEMBL267537 0.83 MAPK1 (0.49) L3MBTL1SMN1; SMN2MAPK1CYP3A4
SCHEMBL4297104 0.78 CHRM2 (0.43) KMT2AMEN1MAPTNPSR1HTT
SCHEMBL28599483 0.75 MAPT (0.47) TSHRLMNAHPGDKMT2AMEN1
SCHEMBL27516191 0.75 ALDH1A1 (0.50) TSHRLMNAKMT2AMEN1L3MBTL1
SCHEMBL17018447 0.73 ACHE (0.48) TSHRLMNAHPGDKMT2AL3MBTL1
SCHEMBL11194625 0.72 TDP1 (0.39) TSHRLMNAKMT2AMEN1TDP1

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
US-11834383-B2 Energetic feedstock for additive manufacturing LYNNTECH, INC. (US) 2023-12-05 — — US claimed
US-20210276931-A1 Energetic Feedstock for Additive Manufacturing LYNNTECH, INC. 2021-09-09 — — US claimed
EP-1321505-A2 Gelled propellant, process for the preparation of a gelled propellant and its use Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2003-06-25 — — EP claimed
CN-117924177-A Preparation method of pazopanib intermediate 2, 3-dimethyl-6-amino-2H-indazole and analogues thereof 南京杰运医药科技有限公司 2024-04-26 — — CN disclosed
US-11834383-B2 Energetic feedstock for additive manufacturing LYNNTECH, INC. (US) 2023-12-05 — — US disclosed
CN-114539064-A Synthesis method of 4-nitrophenylethane 南通大学 2022-05-27 — — CN disclosed
CN-113408564-A Graph processing method, network training method, device, equipment and storage medium 腾讯科技（深圳）有限公司 2021-09-17 — — CN disclosed
US-20210276931-A1 Energetic Feedstock for Additive Manufacturing LYNNTECH, INC. 2021-09-09 — — US disclosed
EP-1692297-B1 NITROREDUCTASE BIOSENSORS FOR DETECTING NITRO-COMPOUNDS UNIV WALES BANGOR (GB) 2012-01-04 — — EP disclosed
US-20090120809-A1 Nitroreductase biosensors for detecting nitro-compounds UNIVERSITY OF WALES, BANGOR (GB) 2009-05-14 — — US disclosed
EP-1692297-A1 NITROREDUCTASE BIOSENSORS FOR DETECTING NITRO-COMPOUNDS University Of Wales, Bangor (GB) 2006-08-23 — — EP disclosed
WO-2005056815-A1 NITROREDUCTASE BIOSENSORS FOR DETECTING NITRO-COMPOUNDS UNIVERSITY OF WALES, BANGOR (GB) 2005-06-23 — — WO disclosed
EP-1321505-A2 Gelled propellant, process for the preparation of a gelled propellant and its use Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2003-06-25 — — EP disclosed