SCHEMBL9535783

SCHEMBL9535783

CC(CO)(COS(C)(=O)=O)NCc1c2ccccc2cc2oc3ccccc3c12

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.38
ADRB2 P07550 1/20 0.33
CA2 P00918 1/20 0.31
NPBWR1 P48145 1/20 0.31
KMT2A Q03164 1/20 0.31
MCHR1 Q99705 1/20 0.31
PGAM1 P18669 1/20 0.31
LMNA P02545 1/20 0.30
MAOA P21397 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL9535779 0.90 SLC2A1 (0.46) SLC2A1ADRB2CA2NPBWR1KMT2A
SCHEMBL9537507 0.86 SLC2A1 (0.38) SLC2A1ADRB2NPBWR1KMT2AMCHR1
SCHEMBL9779025 0.86 SLC2A1 (0.36) SLC2A1CA2NPBWR1KMT2AMCHR1
SCHEMBL9536974 0.84 SLC2A1 (0.48) SLC2A1ADRB2CA2KMT2ALMNA
SCHEMBL9778957 0.82 SLC2A1 (0.41) SLC2A1ADRB2LMNAGAA
SCHEMBL9779115 0.82 SLC2A1 (0.39) SLC2A1KMT2ALMNAALDH1A1CYP1A2
SCHEMBL10348691 0.81 SLC2A1 (0.39) SLC2A1NPBWR1KMT2AMCHR1LMNA
SCHEMBL10484383 0.80 SLC2A1 (0.40) SLC2A1NPBWR1KMT2AMCHR1ALDH1A1
SCHEMBL9778854 0.80 SLC2A1 (0.39) SLC2A1NPBWR1KMT2AMCHR1ALDH1A1
SCHEMBL10488353 0.78 SLC2A1 (0.37) SLC2A1NPBWR1KMT2AMCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0182608-B1 POLYCYCLIC COMPOUNDS, THEIR PREPARATION AND FORMULATIONS CONTAINING THEM THE WELLCOME FOUNDATION LIMITED (GB) 1993-03-03 EP disclosed
US-4999369-A Antitumor agents BURROUGHS WELLCOME CO. (US) 1991-03-12 US disclosed
US-4952597-A ANTITUMOR AGENTS BURROUGHS WELLCOME CO. (US) 1990-08-28 US disclosed
US-4918101-A ANTITUMOR AGENTS BURROUGHS WELLCOME CO. (US) 1990-04-17 US disclosed
US-4910218-A With a hydroxy containing secondary amine group BURROUGHS WELLCOME CO. (US) 1990-03-20 US disclosed
US-4873258-A Benzo[c] carbazole propanediol containing anti tumor compositions and use BURROUGHS WELLCOME CO. (US) 1989-10-10 US disclosed
US-4855453-A Tetracyclic thiophene derivatives BURROUGHS WELLCOME CO. (US) 1989-08-08 US disclosed
US-4797495-A ANTITUMOR AGENTS, ANTICARCINOGENIC AGENTS BURROUGHS WELLCOME CO. (US) 1989-01-10 US disclosed
EP-0182608-A2 Polycyclic compounds, their preparation and formulations containing them THE WELLCOME FOUNDATION LIMITED (GB) 1986-05-28 EP disclosed