SCHEMBL9538355

SCHEMBL9538355

CC(CO)(CO)NCc1cc2sc3ccccc3c2c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.52
PTPN7 P35236 1/20 0.35
DUSP3 P51452 1/20 0.35
PTPN12 Q05209 1/20 0.35
PTPN22 Q9Y2R2 1/20 0.35
ALDH1A1 P00352 4/20 0.34
MAPT P10636 3/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CYP2A6 P11509 1/20 0.33
GPR3 P46089 1/20 0.33
CYP1A2 P05177 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
NPC1 O15118 3/20 0.31
RAB9A P51151 3/20 0.31
KDM4E B2RXH2 2/20 0.31

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
SCHEMBL9536975 0.94 SLC2A1 (0.61) SLC2A1PTPN7DUSP3PTPN12PTPN22
SCHEMBL9536977 0.86 SLC2A1 (0.50) SLC2A1PTPN7DUSP3PTPN12PTPN22
SCHEMBL9526249 0.84 SLC2A1 (0.43) SLC2A1PTPN7DUSP3PTPN12PTPN22
Hydrochloric Acid SCHEMBL9525885 0.83 SLC2A1 (0.42) SLC2A1PTPN7DUSP3PTPN12PTPN22
SCHEMBL9536888 0.82 SLC2A1 (0.52) SLC2A1PTPN7DUSP3PTPN12PTPN22
SCHEMBL9526583 0.77 SLC2A1 (0.56) SLC2A1CYP2A6CYP1A2CD274HTT
SCHEMBL9538120 0.77 SLC2A1 (0.61) SLC2A1PTPN7DUSP3PTPN12PTPN22
Hydrochloric Acid SCHEMBL9526225 0.76 SLC2A1 (0.55) SLC2A1CYP2A6CYP1A2CD274HTT
SCHEMBL9529107 0.76 PTPN7 (0.45) SLC2A1PTPN7DUSP3PTPN12PTPN22
SCHEMBL10349546 0.76 SLC2A1 (0.63) SLC2A1ALDH1A1MAPTMEN1POLB

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 11 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 claimed
US-4855453-A Tetracyclic thiophene derivatives BURROUGHS WELLCOME CO. (US) 1989-08-08 US claimed
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