SCHEMBL9537983

SCHEMBL9537983

CCOC(=O)c1cc2ccc3c4ccccc4ccc3c2s1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.74
MAPT P10636 4/20 0.74
L3MBTL1 Q9Y468 3/20 0.74
NPC1 O15118 3/20 0.74
RAB9A P51151 3/20 0.74
TDP1 Q9NUW8 3/20 0.74
SMN1; SMN2 Q16637 2/20 0.74
CASP3 P42574 1/20 0.74
ATM Q13315 1/20 0.74
SENP7 Q9BQF6 1/20 0.74
SENP6 Q9GZR1 1/20 0.74
TSHR P16473 1/20 0.52
HSD17B10 Q99714 1/20 0.52
ALDH1A1 P00352 4/20 0.48
GAA P10253 3/20 0.48
GLA P06280 1/20 0.48
KMT2A Q03164 3/20 0.48
MAPK1 P28482 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
CDC25B P30305 3/20 0.46

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
SCHEMBL30020347 0.93 KDM4E (0.83) KDM4EMAPTL3MBTL1NPC1RAB9A
SCHEMBL9778983 0.88 KDM4E (0.65) KDM4EMAPTL3MBTL1NPC1RAB9A
SCHEMBL9536822 0.87 KDM4E (0.70) KDM4EMAPTL3MBTL1NPC1RAB9A
SCHEMBL9779122 0.82 KDM4E (0.55) KDM4EMAPTL3MBTL1NPC1RAB9A
SCHEMBL30020600 0.82 MAPT (0.60) KDM4EMAPTL3MBTL1NPC1RAB9A
SCHEMBL28744296 0.81 KDM4E (0.59) KDM4EMAPTL3MBTL1NPC1RAB9A
SCHEMBL30020340 0.81 KDM4E (0.57) KDM4EMAPTL3MBTL1NPC1RAB9A
SCHEMBL14053990 0.78 KDM4E (0.53) KDM4EMAPTL3MBTL1NPC1RAB9A
SCHEMBL9524934 0.77 ALDH1A1 (0.66) KDM4EMAPTL3MBTL1NPC1RAB9A
SCHEMBL1849673 0.77 KDM4E (0.57) KDM4EMAPTL3MBTL1NPC1RAB9A

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 9 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-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