SCHEMBL7457103

SCHEMBL7457103

c1ccc(Oc2cccc3ccccc23)c(Oc2cccc3ccccc23)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 7/20 0.52
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 4/20 0.48
TDP1 Q9NUW8 2/20 0.48
KCNA3 P22001 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 3/20 0.48
CYP2A6 P11509 1/20 0.48
TSHR P16473 1/20 0.48
GAA P10253 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MAPT P10636 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PGR P06401 1/20 0.47
PTGS1 P23219 1/20 0.47
MAPK1 P28482 1/20 0.47
HTR1D P28221 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SLC6A4 P31645 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
SCHEMBL29577853 0.97 HTR1B (0.54) HTR1BALDH1A1KDM4ETDP1KCNA3
SCHEMBL442767 0.97 HTR1B (0.54) HTR1BALDH1A1KDM4ETDP1KCNA3
Methane SCHEMBL10959030 0.95 HTR1B (0.52) HTR1BALDH1A1KDM4ETDP1KCNA3
Lithium SCHEMBL6571336 0.95 HTR1B (0.52) HTR1BALDH1A1KDM4ETDP1KCNA3
Ethylene SCHEMBL4726812 0.92 HTR1B (0.50) HTR1BALDH1A1KDM4ETDP1KCNA3
Ethane SCHEMBL10636467 0.92 HTR1B (0.50) HTR1BALDH1A1KDM4ETDP1KCNA3
SCHEMBL16632544 0.89 CA12 (0.54) HTR1BALDH1A1KDM4EHPGDHSD17B10
SCHEMBL10540676 0.88 ALDH1A1 (0.51) HTR1BALDH1A1KDM4ETDP1KCNA3
SCHEMBL441360 0.86 HPRT1 (0.61) HTR1BALDH1A1KDM4ETDP1KCNA3
Ethylene Glycol SCHEMBL8646862 0.86 HTR1B (0.54) HTR1BALDH1A1KDM4ETDP1KCNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0966436-B1 ARYL SULFONAMIDES AND ANALOGUES THEREOF AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES BAYER AG (DE) 2002-12-11 EP claimed
EP-0966436-B1 ARYL SULFONAMIDES AND ANALOGUES THEREOF AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES BAYER AG (DE) 2002-12-11 EP disclosed
EP-0189266-A2 Purification of haloacetyl derivatives of aromatic hydrocarbons THE DOW CHEMICAL COMPANY (US) 1986-07-30 EP disclosed