SCHEMBL9536822

SCHEMBL9536822

CCOC(=O)c1cc2ccc3ccc4ccccc4c3c2s1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.70
MAPT P10636 5/20 0.70
L3MBTL1 Q9Y468 3/20 0.70
TDP1 Q9NUW8 3/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
NPC1 O15118 2/20 0.70
RAB9A P51151 2/20 0.70
CASP3 P42574 1/20 0.70
ATM Q13315 1/20 0.70
SENP7 Q9BQF6 1/20 0.70
SENP6 Q9GZR1 1/20 0.70
TSHR P16473 1/20 0.52
HSD17B10 Q99714 1/20 0.52
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48
GAA P10253 4/20 0.47
ALDH1A1 P00352 5/20 0.46
CDC25B P30305 3/20 0.46
LMNA P02545 2/20 0.46
GLA P06280 1/20 0.45

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 0.91 KDM4E (0.83) KDM4EMAPTL3MBTL1TDP1SMN1; SMN2
SCHEMBL9537983 0.87 KDM4E (0.74) KDM4EMAPTL3MBTL1TDP1SMN1; SMN2
SCHEMBL9778983 0.81 KDM4E (0.65) KDM4EMAPTL3MBTL1TDP1SMN1; SMN2
SCHEMBL28744296 0.78 KDM4E (0.59) KDM4EMAPTL3MBTL1TDP1SMN1; SMN2
SCHEMBL1849673 0.77 KDM4E (0.57) KDM4EMAPTL3MBTL1TDP1SMN1; SMN2
SCHEMBL18264007 0.77 HDAC3 (0.58) KDM4EMAPTL3MBTL1TDP1SMN1; SMN2
SCHEMBL15595465 0.77 KDM4E (0.57) KDM4EMAPTL3MBTL1TDP1SMN1; SMN2
SCHEMBL18264002 0.77 KDM4E (0.60) KDM4EMAPTL3MBTL1TDP1SMN1; SMN2
SCHEMBL29443049 0.77 KDM4E (0.57) KDM4EMAPTL3MBTL1TDP1SMN1; SMN2
SCHEMBL30020600 0.76 MAPT (0.60) KDM4EMAPTL3MBTL1TDP1SMN1; SMN2

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