SCHEMBL444702

SCHEMBL444702

O=[N+]([O-])c1ccccc1-c1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
TDP1 Q9NUW8 1/20 0.53
MAOB P27338 1/20 0.50
GRM5 P41594 1/20 0.48
ACHE P22303 1/20 0.48
PDE10A Q9Y233 1/20 0.47
POLB P06746 3/20 0.46
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.46
CCR1 P32246 1/20 0.46
CCR5 P51681 1/20 0.46
CCR8 P51685 1/20 0.46
METAP1 P53582 1/20 0.46
BLM P54132 1/20 0.46
HIF1A Q16665 1/20 0.46
DOHH Q9BU89 1/20 0.46
P4HTM Q9NXG6 1/20 0.46
GAA P10253 2/20 0.46
MAPT P10636 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
SCHEMBL15874590 0.86 ALDH1A1 (0.61) ALDH1A1TDP1MAOBGRM5ACHE
SCHEMBL5006757 0.85 ALDH1A1 (0.46) ALDH1A1TDP1GRM5PDE10APOLB
SCHEMBL15365995 0.85 F12 (0.46) ALDH1A1TDP1GRM5ACHEPDE10A
SCHEMBL28913472 0.84 ALDH1A1 (0.49) ALDH1A1PDE10APOLBLMNAKDM4E
SCHEMBL4150422 0.83 PDE10A (0.53) ALDH1A1TDP1PDE10APOLBLMNA
SCHEMBL30117516 0.83 PDE10A (0.53) ALDH1A1TDP1PDE10APOLBLMNA
SCHEMBL12938251 0.82 ALDH1A1 (0.51) ALDH1A1TDP1MAOBGRM5ACHE
SCHEMBL11046684 0.82 MEN1 (0.56) ALDH1A1TDP1GRM5ACHELMNA
SCHEMBL31599140 0.82 MEN1 (0.56) ALDH1A1TDP1GRM5ACHELMNA
SCHEMBL28653396 0.82 PDE10A (0.45) ALDH1A1TDP1MAOBGRM5ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6558650-B1 Exposing tumor cells to a nifedipine photodegradation product; OREGON HEALTH AND SCIENCE UNIVERSITY 2003-05-06 US claimed
EP-1069918-A4 ENHANCEMENT OF CELLULAR GALLIUM UPTAKE UNIV OREGON HEALTH SCIENCES (US) 2002-02-20 EP claimed
EP-1069918-A1 ENHANCEMENT OF CELLULAR GALLIUM UPTAKE Oregon Health Sciences University (US) 2001-01-24 EP claimed
WO-1999051277-A1 ENHANCEMENT OF CELLULAR GALLIUM UPTAKE OREGON HEALTH SCIENCES UNIVERSITY (US) 1999-10-14 WO claimed
US-12440482-B2 1,4-dihydropyridine compositions, methods of making and use AMERICAN REGENT, INC. (US) 2025-10-14 US disclosed
US-12043730-B2 Fused deposition modeling type additive manufacturing material MITSUBISHI CHEMICAL CORPORATION (JP) 2024-07-23 US disclosed
CN-118239988-A Preparation method and application of heterochiral binuclear Ir (III) metal-organic double-helix structure compound 大连理工大学 2024-06-25 CN disclosed
EP-3238711-B1 BASE FOR SOLID DISPERSION, PRODUCTION METHOD FOR SOLID DISPERSION USING SAME, AND SOLID DISPERSION MITSUBISHI CHEM CORP (JP) 2023-07-12 EP disclosed
EP-3831879-B1 MATERIAL FOR FUSED DEPOSITION MODELING TYPE ADDITIVE MANUFACTURING MITSUBISHI CHEM CORP (JP) 2023-07-12 EP disclosed
EP-4032527-A1 STABLE NIMODIPINE PARENTERAL FORMULATION Grace Therapeutics Inc. (US) 2022-07-27 EP disclosed
EP-3442586-B1 STABLE NIMOPIDINE PARENTERAL FORMULATION Grace therapeutics Inc (US) 2022-06-08 EP disclosed
US-20220016097-A1 1,4-DIHYDROPYRIDINE COMPOSITIONS, METHODS OF MAKING AND USE AMERICAN REGENT, INC. (US) 2022-01-20 US disclosed
WO-2000066563-A1 IMIDAZOLINE DERIVATIVES AS ALPHA-1A ADRENOCEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2000-11-09 WO disclosed
EP-0998304-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING CYCLODEXTRINS JANSSEN PHARMACEUTICA N.V. (BE) 2000-05-10 EP disclosed
WO-1999010346-A1 BENZOTHIADIAZINYL-INDOLE DERIVATIVES AND THEIR USE AS SEROTONIN RECEPTOR LIGANDS ELI LILLY AND COMPANY LIMITED (GB) 1999-03-04 WO disclosed
WO-1998055148-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING CYCLODEXTRINS JANSSEN PHARMACEUTICA N.V. (BE) 1998-12-10 WO disclosed
US-5534440-A ISOTHIOCYANATE, IONIZABLE GROUP BIOMEDICAL RESEARCH CENTRE LIMITED (CA) 1996-07-09 US disclosed
US-4886822-A SIDE EFFECT REDUCTION KOWA COMPANY, LTD. (JP) 1989-12-12 US disclosed
EP-0286979-A1 Substituted anilide derivatives KOWA COMPANY, LTD. (JP) 1988-10-19 EP disclosed
US-4502995-A Nucleophilic substitution process ETHYL CORPORATION (US) 1985-03-05 US disclosed