SCHEMBL8083733

SCHEMBL8083733

O=C1NC(=O)C2C1C2(Cc1ccccc1)[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TLR9 Q9NR96 1/20 0.37
CACNA1B Q00975 2/20 0.37
CACNB4 O00305 1/20 0.37
CACNA1A O00555 1/20 0.37
CACNA1G O43497 1/20 0.37
CACNG3 O60359 1/20 0.37
CACNA1F O60840 1/20 0.37
CACNA1H O95180 1/20 0.37
CACNB3 P54284 1/20 0.37
CACNA2D1 P54289 1/20 0.37
CACNG7 P62955 1/20 0.37
CACNA1D Q01668 1/20 0.37
CACNB1 Q02641 1/20 0.37
CACNG1 Q06432 1/20 0.37
CACNB2 Q08289 1/20 0.37
CACNA1S Q13698 1/20 0.37

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
SCHEMBL8765779 0.75 MC4R (0.37) MAPTALDH1A1MAOBKDM4EHTT
SCHEMBL9407223 0.67 CACNB4 (0.37) ALDH1A1MEN1KMT2ACACNA1BCACNB4
SCHEMBL5273291 0.63 ALDH1A1 (0.36) MAPTALDH1A1MEN1KMT2AELANE
SCHEMBL7502415 0.62 ALDH1A1 (0.41) MAPTALDH1A1KMT2AMAOBKDM4E
SCHEMBL7114933 0.60 KMT2A (0.37) MAPTALDH1A1MEN1KMT2AELANE
SCHEMBL27673225 0.59 CPA1 (0.47) ALDH1A1HTTCYP1A2CYP2C19
SCHEMBL73253 0.59 CPA1 (0.47) ALDH1A1HTTCYP1A2CYP2C19
SCHEMBL5448618 0.58 MMP9 (0.64) MAPTALDH1A1KMT2ACACNA1BELANE
SCHEMBL11192725 0.58 HTT (0.47) MAPTALDH1A1KMT2AELANECA2
SCHEMBL460010 0.58 PTPRF (0.47) MAPTMEN1KMT2ACA2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0863874-B1 PROCESS FOR PREPARING DIOXOAZABICYCLOHEXANES PFIZER LTD (GB) 2000-12-27 EP disclosed
EP-0818446-B1 Process for preparing 2,4-dioxo-3-azabicyclo(3.1.0)hexanes PFIZER LTD (GB) 2000-11-02 EP disclosed
EP-0863874-A1 PROCESS FOR PREPARING DIOXOAZABICYCLOHEXANES Pfizer Limited (GB) 1998-09-16 EP disclosed
EP-0818446-A1 Process for preparing 2,4-dioxo-3-azabicyclo(3.1.0)hexanes Pfizer Limited (GB) 1998-01-14 EP disclosed
EP-0629189-B1 PREPARATION OF INTERMEDIATES IN THE SYNTHESIS OF QUINOLINE ANTIBIOTICS PFIZER (US) 1997-08-06 EP disclosed
WO-1997019921-A1 PROCESS FOR PREPARING DIOXOAZABICYCLOHEXANES PFIZER LIMITED (GB) 1997-06-05 WO disclosed
US-5298629-A Intermediates in the synthesis of quinoline antibiotics PFIZER INC. (US) 1994-03-29 US disclosed
US-5256791-A Preparation of intermediates in the synthesis of quinoline antibiotics PFIZER INC. (US) 1993-10-26 US disclosed