SCHEMBL188307

SCHEMBL188307

O=[N+]([O-])CCc1cccc(CC[N+](=O)[O-])c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
CYP2D6 P10635 2/20 0.39
NOS1 P29475 2/20 0.39
NOS3 P29474 1/20 0.39
NOS2 P35228 1/20 0.39
LMNA P02545 3/20 0.39
CYP19A1 P11511 3/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2C9 P11712 1/20 0.38
CNR1 P21554 1/20 0.38
EGFR P00533 1/20 0.38
KCNJ1 P48048 1/20 0.37
KCNH2 Q12809 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALDH1A1 P00352 2/20 0.36
PYCR1 P32322 1/20 0.36

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
SCHEMBL2012347 0.87 SIGMAR1 (0.44) TSHRMEN1KMT2ASIGMAR1CYP2D6
SCHEMBL12721217 0.86 DRD2 (0.53) TSHRCYP1A2CYP3A4ALDH1A1
SCHEMBL12720776 0.86 TAAR1 (0.53) ALDH1A1PYCR1
SCHEMBL5255228 0.86 TSHR (0.62) TSHRMEN1KMT2ASIGMAR1CYP2D6
SCHEMBL9447867 0.86 TAAR1 (0.53) MEN1KMT2ASIGMAR1LMNAALDH1A1
SCHEMBL4000998 0.85 ALDH1A1 (0.39) TSHRMEN1KMT2ALMNACYP19A1
SCHEMBL510876 0.85 CNR1 (0.45) SIGMAR1CNR1
SCHEMBL264237 0.84 CNR1 (0.46) SIGMAR1LMNACYP1A2CYP2C19CNR1
Hydrogen Peroxide SCHEMBL28697848 0.82 CYP1A2 (0.47) SIGMAR1CYP1A2CYP2C19CNR1CYP3A4
SCHEMBL8766421 0.82 TAAR1 (0.57) MEN1KMT2ASIGMAR1ALDH1A1

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