Oxolamine

Oxolamine

SCHEMBL5023142

CCN(CC)CCc1nc(-c2ccccc2)no1.O=C(O)CC(O)(CC(=O)O)C(=O)O.O=C1NCCCC1N1C(=O)c2ccccc2C1=O

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACVR1ADORA1ADORA2AADORA2BADORA3ESR1ESR2FLT3GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSC1HRH1HTR7IDH1IDH2IRAK1JAK1JAK2JAK3MEN1OPRM1P2RX3PDE5ASCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASIGMAR1SLC6A2SYKTACR1TOP2ATYK2

The experimentally established mechanism targets of Oxolamine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 known ✓ O00255 2/20 0.38
CYP1A2 P05177 2/20 0.67
CYP2D6 P10635 2/20 0.67
HIF1A Q16665 1/20 0.67
HTR1A P08908 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
MAPK1 P28482 2/20 0.39
KMT2A Q03164 3/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35

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
Oxolamine SCHEMBL3498928 0.82 CYP1A2 (1.00) CYP1A2CYP2D6HIF1AHTR1AHRH3
Citric Acid SCHEMBL5492575 0.72 TSHR (0.35) CYP1A2TSHRALDH1A1KDM4E
Oxolamine SCHEMBL4414451 0.72 CYP1A2 (0.78) CYP1A2CYP2D6HIF1AHTR1AHRH3
Oxolamine SCHEMBL893333 0.69 HTR1A (1.00) CYP1A2CYP2D6HIF1AHTR1AHRH3
Oxolamine SCHEMBL1652318 0.68 HTR1A (0.97) CYP1A2CYP2D6HIF1AHTR1AHRH3
SCHEMBL5023145 0.68 KMT2A (0.33) CYP1A2KMT2AMEN1TSHRALDH1A1
Proxazole SCHEMBL41604 0.66 CYP1A2 (0.68) CYP1A2CYP2D6HIF1AHTR1AHRH3
Proxazole SCHEMBL8935625 0.66 CYP1A2 (0.68) CYP1A2CYP2D6HIF1AHTR1AHRH3
SCHEMBL845434 0.65 CRBN (0.57) CYP1A2TSHRMAPTALDH1A1HPGD
Thalidomide SCHEMBL30511827 0.64 CRBN (0.67) CYP1A2TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080226601-A1 Herpes Virus-Based Compositions and Methods of Use in the Prenatal and Perinatal Periods UNIVERSITY OF ROCHESTER (US) 2008-09-18 US disclosed
EP-1903873-A2 HERPES VIRUS-BASED COMPOSITIONS AND METHODS OF USE IN THE PRENATAL AND PERINATAL PERIODS THE UNIVERSITY OF ROCHESTER (US) 2008-04-02 EP disclosed
WO-2007062198-A1 METHODS TO ACCELERATE THE ISOLATION OF NOVEL CELL STRAINS FROM PLURIPOTENT STEM CELLS AND CELLS OBTAINED THEREBY ADVANCED CELL TECHNOLOGY, INC. (US) 2007-05-31 WO disclosed
WO-2006135602-A2 HERPES VIRUS-BASED COMPOSITIONS AND METHODS OF USE IN THE PRENATAL AND PERINATAL PERIODS UNIVERSITY OF ROCHESTER (US) 2006-12-21 WO disclosed