SCHEMBL9536974

SCHEMBL9536974

CC(CO)(COS(C)(=O)=O)NCc1cc2oc3ccccc3c2c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 3/20 0.48
ADRB2 P07550 1/20 0.34
LMNA P02545 2/20 0.31
MAOA P21397 2/20 0.31
CYP1A2 P05177 4/20 0.31
CYP2C19 P33261 4/20 0.31
CYP2C9 P11712 3/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
CYP3A4 P08684 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ACHE P22303 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPC1 O15118 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
SCHEMBL9536967 0.89 SLC2A1 (0.58) SLC2A1ADRB2LMNAMAOACYP1A2
SCHEMBL9536568 0.86 SLC2A1 (0.49) SLC2A1ADRB2LMNAMAOACYP1A2
SCHEMBL9779107 0.86 SLC2A1 (0.43) SLC2A1LMNACYP1A2CYP2C19CYP2C9
SCHEMBL9535783 0.84 SLC2A1 (0.38) SLC2A1ADRB2LMNAMAOACYP1A2
SCHEMBL9778957 0.83 SLC2A1 (0.41) SLC2A1ADRB2LMNAGAAKDM4E
SCHEMBL10484210 0.82 SLC2A1 (0.48) SLC2A1LMNA
SCHEMBL10348573 0.81 SLC2A1 (0.59) SLC2A1LMNACYP2C19ALDH1A1HPGD
SCHEMBL9779115 0.81 SLC2A1 (0.39) SLC2A1LMNACYP1A2CYP2C19CYP2C9
SCHEMBL9536977 0.80 SLC2A1 (0.50) SLC2A1ALDH1A1GAAMAPTMEN1
SCHEMBL9778854 0.79 SLC2A1 (0.39) SLC2A1ALDH1A1HPGDGAAHTT

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 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-4866073-A ANTITUMOR AGENTS BURROUGHS WELLCOME CO. (US) 1989-09-12 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