SCHEMBL9537874

SCHEMBL9537874

CC(CO)(COS(C)(=O)=O)NCc1cccc2cc3c(cc12)sc1ccccc13

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.41
PTPN7 P35236 1/20 0.36
DUSP3 P51452 1/20 0.36
PTPN12 Q05209 1/20 0.36
PTPN22 Q9Y2R2 1/20 0.36
GUSB P08236 4/20 0.33
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MCL1 Q07820 1/20 0.31
CA2 P00918 1/20 0.31
MMP12 P39900 2/20 0.31
MMP13 P45452 2/20 0.31
SLC9A1 P19634 1/20 0.31
DHODH Q02127 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
GABRP O00591 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
SCHEMBL9537871 0.90 SLC2A1 (0.50) SLC2A1PTPN7DUSP3PTPN12PTPN22
SCHEMBL9536463 0.88 SLC2A1 (0.43) SLC2A1PTPN7DUSP3PTPN12PTPN22
SCHEMBL9779041 0.86 SLC2A1 (0.46) SLC2A1GUSBNQO2
SCHEMBL9536790 0.84 SLC2A1 (0.39) SLC2A1PTPN7DUSP3PTPN12PTPN22
SCHEMBL9537789 0.83 SLC2A1 (0.42) SLC2A1PTPN7DUSP3PTPN12PTPN22
SCHEMBL9538126 0.81 SLC2A1 (0.50) SLC2A1PTPN7DUSP3PTPN12PTPN22
SCHEMBL9536977 0.81 SLC2A1 (0.50) SLC2A1PTPN7DUSP3PTPN12PTPN22
SCHEMBL9779115 0.81 SLC2A1 (0.39) SLC2A1ALDH1A1MAPT
SCHEMBL10630223 0.81 SLC2A1 (0.48) SLC2A1ALDH1A1MMP13
SCHEMBL10348691 0.79 SLC2A1 (0.39) SLC2A1ALDH1A1POLBMCL1MMP13

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 6 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