SCHEMBL9529479

SCHEMBL9529479

CC(CO)(CO)NCc1cccc2c1sc1ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.46
PARP14 Q460N5 1/20 0.39
ALOX5 P09917 1/20 0.36
CYP19A1 P11511 1/20 0.36
GPR3 P46089 1/20 0.35
CD274 Q9NZQ7 2/20 0.35
PTPN7 P35236 1/20 0.34
DUSP3 P51452 1/20 0.34
PTPN12 Q05209 1/20 0.34
PTPN22 Q9Y2R2 1/20 0.34
CYP1A2 P05177 2/20 0.33
MAPT P10636 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
RAB9A P51151 2/20 0.33
ATM Q13315 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ABCB11 O95342 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32

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 SCHEMBL9524680 0.99 SLC2A1 (0.45) SLC2A1PARP14ALOX5CYP19A1GPR3
SCHEMBL9536888 0.86 SLC2A1 (0.52) SLC2A1PARP14ALOX5GPR3CD274
SCHEMBL9526249 0.86 SLC2A1 (0.43) SLC2A1PARP14GPR3CD274PTPN7
SCHEMBL9779425 0.86 SLC2A1 (0.47) SLC2A1CD274PTPN7DUSP3PTPN12
Hydrochloric Acid SCHEMBL9525885 0.85 SLC2A1 (0.42) SLC2A1PARP14GPR3CD274PTPN7
SCHEMBL9538120 0.81 SLC2A1 (0.61) SLC2A1PARP14ALOX5PTPN7DUSP3
SCHEMBL9779036 0.81 SLC2A1 (0.55) SLC2A1CD274PTPN7DUSP3PTPN12
SCHEMBL9536463 0.80 SLC2A1 (0.43) SLC2A1GPR3CD274PTPN7DUSP3
SCHEMBL9779147 0.79 SLC2A1 (0.41) SLC2A1PARP14CYP1A2KDM4ECYP3A4
Hydrochloric Acid SCHEMBL9778893 0.78 SLC2A1 (0.40) SLC2A1PARP14CYP1A2KDM4ECYP3A4

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
US-5017600-A Antitumor BURROUGHS WELLCOME CO. (US) 1991-05-21 US claimed
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
EP-0183439-A2 Polycyclic compounds, their preparation and use and formulations containing them THE WELLCOME FOUNDATION LIMITED (GB) 1986-06-04 EP disclosed