SCHEMBL9535916

SCHEMBL9535916

CC(CO)(CO)NCc1ccc2cc3c(cc2c1)sc1ccccc13

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 1/20 0.40
DUSP3 P51452 1/20 0.40
PTPN12 Q05209 1/20 0.40
PTPN22 Q9Y2R2 1/20 0.40
SLC2A1 P11166 1/20 0.39
IDO1 P14902 1/20 0.35
MMP2 P08253 1/20 0.33
MMP13 P45452 1/20 0.33
GPR3 P46089 1/20 0.33
MAPK1 P28482 1/20 0.33
MC5R P33032 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
MAPT P10636 3/20 0.33
ALDH1A1 P00352 2/20 0.33
RAB9A P51151 2/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPK14 Q16539 1/20 0.32
CYP1A2 P05177 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
SCHEMBL9536796 0.94 SLC2A1 (0.47) PTPN7DUSP3PTPN12PTPN22SLC2A1
SCHEMBL9529107 0.87 PTPN7 (0.45) PTPN7DUSP3PTPN12PTPN22SLC2A1
SCHEMBL9536790 0.87 SLC2A1 (0.39) PTPN7DUSP3PTPN12PTPN22SLC2A1
Hydrochloric Acid SCHEMBL9526374 0.86 PTPN7 (0.44) PTPN7DUSP3PTPN12PTPN22SLC2A1
SCHEMBL10488876 0.80 MMP13 (0.45) SLC2A1IDO1MMP2MMP13MAPK1
SCHEMBL9779319 0.79 SLC2A1 (0.41) PTPN7DUSP3PTPN12PTPN22SLC2A1
SCHEMBL9536463 0.79 SLC2A1 (0.43) PTPN7DUSP3PTPN12PTPN22SLC2A1
SCHEMBL10348839 0.77 MMP13 (0.41) SLC2A1IDO1MMP2MMP13MAPK1
SCHEMBL10546894 0.77 MAPK1 (0.42) SLC2A1IDO1MMP2MMP13MAPK1
Hydrochloric Acid SCHEMBL10549772 0.76 NPBWR1 (0.42) SLC2A1IDO1MMP2MMP13MAPK1

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 8 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
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