SCHEMBL9535866

SCHEMBL9535866

CC(CO)(CO)NCc1cc2ccc3ccsc3c2c2ccccc12

nearest known ligand 0.89

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.89
CD274 Q9NZQ7 1/20 0.30
CXCR2 P25025 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
SCHEMBL9536774 0.94 SLC2A1 (1.00) SLC2A1
SCHEMBL9537194 0.88 SLC2A1 (0.72) SLC2A1
SCHEMBL9524655 0.88 SLC2A1 (0.70) SLC2A1CD274
SCHEMBL9536780 0.87 SLC2A1 (0.82) SLC2A1CXCR2
SCHEMBL9779055 0.87 SLC2A1 (0.69) SLC2A1CD274CXCR2
Hydrochloric Acid SCHEMBL9525862 0.86 SLC2A1 (0.69) SLC2A1CD274
SCHEMBL10349546 0.82 SLC2A1 (0.63) SLC2A1CD274
SCHEMBL9778877 0.82 SLC2A1 (0.79) SLC2A1CXCR2
SCHEMBL9538640 0.78 SLC2A1 (0.58) SLC2A1
SCHEMBL10348572 0.77 SLC2A1 (0.72) SLC2A1

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-0182608-B1 POLYCYCLIC COMPOUNDS, THEIR PREPARATION AND FORMULATIONS CONTAINING THEM THE WELLCOME FOUNDATION LIMITED (GB) 1993-03-03 EP 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