SCHEMBL9526249

SCHEMBL9526249

CC(CO)(CO)NCc1cccc2sc3ccccc3c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.43
GPR3 P46089 1/20 0.39
DUSP3 P51452 2/20 0.36
PTPN7 P35236 1/20 0.36
PTPN12 Q05209 1/20 0.36
PTPN22 Q9Y2R2 1/20 0.36
CD274 Q9NZQ7 2/20 0.35
CYP1A2 P05177 1/20 0.33
MAPT P10636 4/20 0.32
PDCD1 Q15116 1/20 0.32
CYP2A6 P11509 1/20 0.32
PARP14 Q460N5 1/20 0.32
ALDH1A1 P00352 2/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MCL1 Q07820 2/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
MEN1 O00255 1/20 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
Hydrochloric Acid SCHEMBL9525885 0.99 SLC2A1 (0.42) SLC2A1GPR3DUSP3PTPN7PTPN12
SCHEMBL9529479 0.86 SLC2A1 (0.46) SLC2A1GPR3DUSP3PTPN7PTPN12
Hydrochloric Acid SCHEMBL9524680 0.85 SLC2A1 (0.45) SLC2A1GPR3DUSP3PTPN7PTPN12
SCHEMBL9538355 0.84 SLC2A1 (0.52) SLC2A1GPR3DUSP3PTPN7PTPN12
SCHEMBL9536463 0.82 SLC2A1 (0.43) SLC2A1GPR3DUSP3PTPN7PTPN12
SCHEMBL9466773 0.82 SLC2A1 (0.48) SLC2A1CD274CYP1A2PDCD1HPGD
SCHEMBL10926208 0.81 GPR3 (0.37) GPR3DUSP3PTPN7PTPN12PTPN22
Hydrochloric Acid SCHEMBL9466085 0.81 SLC2A1 (0.47) SLC2A1CD274CYP1A2PDCD1HPGD
SCHEMBL9779026 0.80 SLC2A1 (0.37) SLC2A1DUSP3PTPN7PTPN12PTPN22
SCHEMBL9536975 0.79 SLC2A1 (0.61) SLC2A1DUSP3PTPN7PTPN12PTPN22

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-0183439-A2 Polycyclic compounds, their preparation and use and formulations containing them THE WELLCOME FOUNDATION LIMITED (GB) 1986-06-04 EP claimed
EP-0183439-B1 POLYCYCLIC COMPOUNDS, THEIR PREPARATION AND USE AND FORMULATIONS CONTAINING THEM THE WELLCOME FOUNDATION LIMITED (GB) 1993-02-03 EP disclosed
US-5075455-A Microbiocides, antitumor agents BURROUGHS WELLCOME CO. (US) 1991-12-24 US disclosed
US-5049581-A Dibenzofurans having anti-tumor activity BURROUGHS WELLCOME CO. (US) 1991-09-17 US disclosed
US-5017600-A Antitumor BURROUGHS WELLCOME CO. (US) 1991-05-21 US disclosed
US-5008286-A Antitumor agents BURROUGHS WELLCOME CO. (US) 1991-04-16 US disclosed
US-4970227-A ANTITUMOR BURROUGHS WELLCOME CO. (US) 1990-11-13 US disclosed
US-4965285-A ANTITUMOR AGENTS BURROUGHS WELLCOME CO. (US) 1990-10-23 US disclosed
US-4866070-A ANTITUMOR AGENT BURROUGHS WELLCOME CO. (US) 1989-09-12 US disclosed