SCHEMBL9754513

SCHEMBL9754513

O=[N+]([O-])c1ccccc1-c1cc2ccccc2o1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.67
LMNA P02545 1/20 0.67
GABRP O00591 1/20 0.56
GABRD O14764 1/20 0.56
GABRA1 P14867 1/20 0.56
GABRB1 P18505 1/20 0.56
GABRG2 P18507 1/20 0.56
GABRB3 P28472 1/20 0.56
GABRA5 P31644 1/20 0.56
GABRA3 P34903 1/20 0.56
GABRA2 P47869 1/20 0.56
GABRB2 P47870 1/20 0.56
GABRA4 P48169 1/20 0.56
GABRE P78334 1/20 0.56
GABRA6 Q16445 1/20 0.56
GABRG1 Q8N1C3 1/20 0.56
GABRG3 Q99928 1/20 0.56
GABRQ Q9UN88 1/20 0.56
MAOA P21397 3/20 0.54
MAOB P27338 2/20 0.54

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
SCHEMBL6156827 0.84 ALDH1A1 (0.56) ALDH1A1LMNAGABRPGABRDGABRA1
SCHEMBL21747478 0.84 MAOB (0.57) ALDH1A1LMNAGABRPGABRDGABRA1
SCHEMBL8547983 0.84 MAOB (0.72) ALDH1A1LMNAGABRPGABRDGABRA1
SCHEMBL18153333 0.81 MAOB (0.73) ALDH1A1LMNAMAOAMAOBKMT2A
SCHEMBL21747480 0.81 ALDH1A1 (0.52) ALDH1A1LMNAGABRPGABRDGABRA1
SCHEMBL9571333 0.81 GABRP (0.53) ALDH1A1LMNAGABRPGABRDGABRA1
SCHEMBL8457641 0.80 ALDH1A1 (0.51) ALDH1A1LMNAGABRPGABRDGABRA1
SCHEMBL1459318 0.80 ALDH1A1 (1.00) ALDH1A1LMNAGABRPGABRDGABRA1
SCHEMBL28142645 0.79 ALDH1A1 (0.57) ALDH1A1LMNAGABRPGABRDGABRA1
SCHEMBL2878521 0.78 PDE10A (0.51) ALDH1A1LMNAMAOAKMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025007135-A9 CONTROLLED GLYCAN METABOLIC ENGINEERING SYSTEMS AND APPLICATIONS THEREOF WAYNE STATE UNIVERSITY (US) 2025-03-27 WO claimed
WO-2025007135-A2 CONTROLLED GLYCAN METABOLIC ENGINEERING SYSTEMS AND APPLICATIONS THEREOF WAYNE STATE UNIVERSITY (US) 2025-01-02 WO claimed
JP-3024069-A None JP disclosed
WO-2025007135-A9 CONTROLLED GLYCAN METABOLIC ENGINEERING SYSTEMS AND APPLICATIONS THEREOF WAYNE STATE UNIVERSITY (US) 2025-03-27 WO disclosed
WO-2025007135-A2 CONTROLLED GLYCAN METABOLIC ENGINEERING SYSTEMS AND APPLICATIONS THEREOF WAYNE STATE UNIVERSITY (US) 2025-01-02 WO disclosed
CN-103649079-B Hepatitis c inhibitor and application thereof ABBVIE 公司 2016-11-16 CN disclosed
US-9312496-B2 Organic electroluminescent element NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2016-04-12 US disclosed
US-8766249-B2 Nitrogenated aromatic compound, organic semiconductor material, and organic electronic device NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2014-07-01 US disclosed
US-8766249-B2 Nitrogenated aromatic compound, organic semiconductor material, and organic electronic device NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2014-07-01 US disclosed
US-20130193429-A1 ORGANIC ELECTROLUMINESCENT ELEMENT NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2013-08-01 US disclosed
US-20130184458-A1 NITROGENATED AROMATIC COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL, AND ORGANIC ELECTRONIC DEVICE NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2013-07-18 US disclosed
US-20130184458-A1 NITROGENATED AROMATIC COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL, AND ORGANIC ELECTRONIC DEVICE NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2013-07-18 US disclosed
WO-1991014688-A1 HETERO POLYCYCLIC BIOCIDAL COMPOUNDS AND THEIR USE IN MEDECINE THE WELLCOME FOUNDATION LIMITED (GB) 1991-10-03 WO disclosed
EP-0447703-A1 Hetero polycyclic biocidal compounds, their synthesis and intermediates therefor,formulations containing them and their use in medicine THE WELLCOME FOUNDATION LIMITED (GB) 1991-09-25 EP disclosed
JP-H0324069-A BENZO(B)FURAN DERIVATIVE KISSEI PHARMACEUT CO LTD 1991-02-01 JP disclosed
US-4172205-A Phenylalkanoic acid derivatives RIKER LABORATORIES, INC. (US) 1979-10-23 US disclosed
US-4143152-A BACTERICIDES RIKER LABORATORIES, INC. (US) 1979-03-06 US disclosed