SCHEMBL9015339

SCHEMBL9015339

Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.82
CYP3A4 P08684 4/20 0.66
TSHR P16473 2/20 0.66
TDP1 Q9NUW8 2/20 0.66
HPGD P15428 1/20 0.66
ALOX15 P16050 1/20 0.66
HIF1A Q16665 1/20 0.66
TXNRD1 Q16881 1/20 0.66
TXNRD3 Q86VQ6 1/20 0.66
TXNRD2 Q9NNW7 1/20 0.66
PTPN5 P54829 1/20 0.54
MAPT P10636 6/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MAPK1 P28482 4/20 0.51
LMNA P02545 3/20 0.49
PLK1 P53350 3/20 0.46
POLB P06746 2/20 0.46
GAA P10253 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALOX12 P18054 1/20 0.46

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
SCHEMBL2415016 0.90 ALDH1A1 (1.00) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL10285828 0.89 ALDH1A1 (0.72) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL9173191 0.89 ALDH1A1 (0.72) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL12329596 0.89 ALDH1A1 (0.72) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL1193184 0.89 ALDH1A1 (0.72) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL18825074 0.87 ALDH1A1 (0.70) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL205303 0.87 ALDH1A1 (0.70) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL11444409 0.83 ALDH1A1 (0.66) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL8429156 0.83 ALDH1A1 (0.64) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL7903545 0.83 ALDH1A1 (0.64) ALDH1A1CYP3A4TSHRTDP1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110612119-A Phospholipid ether (PLE) CAR T cell tumor targeting (CTCT) agents 西雅图儿童医院(DBA西雅图儿童研究所) 2019-12-24 CN claimed
WO-2018148224-A1 PHOSPHOLIPID ETHER (PLE) CAR T CELL TUMOR TARGETING (CTCT) AGENTS Seattle Children's Hospital (dba Seattle Children's Research Institute) (US) 2018-08-16 WO claimed
US-5177221-A Chromogenic hemispherands and their preparation MILES INC. (US) 1993-01-05 US claimed
US-5011924-A Measurement Of Ions TECHNICON INSTRUMENTS CORPORATION (US) 1991-04-30 US claimed
US-4992381-A Method of detecting electrolytes in an aqueous test sample using chromogenic hemispherands and test device therefor TECHNICON INSTRUMENTS CORPORATION (US) 1991-02-12 US claimed
EP-0371992-A1 IONOPHORES AS REAGENTS FOR DETECTING IONS. ALLIED SIGNAL INC (US) 1990-06-13 EP claimed
US-4859606-A Method for detecting cations in a test sample utilizing chromogenic cryptahemispherands TECHNICON INSTRUMENTS CORPORATION (US) 1989-08-22 US claimed
WO-1989000997-A1 IONOPHORES AS REAGENTS FOR DETECTING IONS ALLIED-SIGNAL INC. (US) 1989-02-09 WO claimed
US-4344857-A Encapsulation by entrapment THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1982-08-17 US claimed
CN-119562764-A Azole fungicide composition 安道麦马克西姆有限公司 2025-03-04 CN disclosed
CN-110612119-B Phosphatidylether (PLE) CAR T cell tumor targeting (CTCT) agents 西雅图儿童医院(DBA西雅图儿童研究所) 2024-10-29 CN disclosed
US-20240226160-A9 ACTIVITY-INDUCIBLE FUSION PROTEINS HAVING A HEAT SHOCK PROTEIN 90 BINDING DOMAIN SEATTLE CHILDREN'S HOSPITAL D/B/A SEATTLE CHILDREN'S RESEARCH INSTITUTE (US) 2024-07-11 US disclosed
CN-118307414-A Synthesis method of trifluralin 江西巍华化学有限公司 2024-07-09 CN disclosed
US-20240131072-A1 ACTIVITY-INDUCIBLE FUSION PROTEINS HAVING A HEAT SHOCK PROTEIN 90 BINDING DOMAIN SEATTLE CHILDREN'S HOSPITAL D/B/A SEATTLE CHILDREN'S RESEARCH INSTITUTE (US) 2024-04-25 US disclosed
US-4024142-A 9-(TRIFLUOROMETHYL)ACENAPHTHO(1,2-B) QUINOXALINE ELI LILLY AND COMPANY (US) 1977-05-17 US disclosed
US-3983168-A HERBICIDES MOBIL OIL CORPORATION (US) 1976-09-28 US disclosed
US-3980784-A Control of animal parasites with benzimidazoles ELI LILLY AND COMPANY (US) 1976-09-14 US disclosed
US-3954788-A INTERMEDIATES FOR HERBIDIDES UNITED STATES BORAX & CHEMICAL CORPORATION (US) 1976-05-04 US disclosed
US-3954792-A 2-Dialkylamino-5-trifluoromethyl-7-nitrobenzimidazoles UNITED STATES BORAX & CHEMICAL CORPORATION (US) 1976-05-04 US disclosed
US-3954438-A 5-Trifluoromethyl-7-aminobenzimidazoles herbicides UNITED STATES BORAX & CHEMICAL CORPORATION (US) 1976-05-04 US disclosed