SCHEMBL9524655

SCHEMBL9524655

CC(CO)(CO)NCc1cc2ccsc2c2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.70
CYP1A2 P05177 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 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 SCHEMBL9525862 0.99 SLC2A1 (0.69) SLC2A1CYP1A2CD274KDM4EALDH1A1
SCHEMBL9779055 0.89 SLC2A1 (0.69) SLC2A1CYP1A2CD274
SCHEMBL9535866 0.88 SLC2A1 (0.89) SLC2A1CD274
SCHEMBL9778877 0.84 SLC2A1 (0.79) SLC2A1
SCHEMBL9536774 0.83 SLC2A1 (1.00) SLC2A1
SCHEMBL9538640 0.82 SLC2A1 (0.58) SLC2A1CYP1A2ALDH1A1HPGD
SCHEMBL9537194 0.81 SLC2A1 (0.72) SLC2A1CYP1A2KDM4EALDH1A1HPGD
SCHEMBL10545553 0.80 SLC2A1 (0.55) SLC2A1CYP1A2CD274KDM4EALDH1A1
SCHEMBL9526583 0.80 SLC2A1 (0.56) SLC2A1CYP1A2CD274
Hydrochloric Acid SCHEMBL10546310 0.79 SLC2A1 (0.54) SLC2A1CYP1A2CD274KDM4EALDH1A1

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 10 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
EP-0183439-A2 Polycyclic compounds, their preparation and use and formulations containing them THE WELLCOME FOUNDATION LIMITED (GB) 1986-06-04 EP disclosed