SCHEMBL9524760

SCHEMBL9524760

CC(CO)(CO)NCc1cc2c(ccc3ccccc32)o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.46
ALDH1A1 P00352 6/20 0.46
GAA P10253 4/20 0.46
MAPT P10636 2/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MTNR1A P48039 6/20 0.44
MTNR1B P49286 6/20 0.44
HTR2C P28335 1/20 0.43
GLA P06280 4/20 0.43
HPGD P15428 3/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAOB P27338 1/20 0.42
HNF4A P41235 1/20 0.42
HIF1A Q16665 1/20 0.41
SLC2A1 P11166 1/20 0.39

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
Hydrochloric Acid SCHEMBL9526162 0.99 KDM4E (0.45) KDM4EALDH1A1GAAMAPTNPC1
SCHEMBL9843623 0.84 ADRB2 (0.39) KDM4EALDH1A1GAAMAPTNPC1
Hydrochloric Acid SCHEMBL9754528 0.83 ADRB2 (0.38) KDM4EALDH1A1GAAMAPTNPC1
SCHEMBL9526537 0.83 SLC2A1 (0.40) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL9535421 0.82 SLC2A1 (0.38) KDM4EALDH1A1GAAMAPTNPC1
Hydrochloric Acid SCHEMBL9526852 0.82 SLC2A1 (0.39) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL9754593 0.81 LMNA (0.38) KDM4EALDH1A1GAAMAPTNPC1
Hydrochloric Acid SCHEMBL9754656 0.80 LMNA (0.37) KDM4EALDH1A1GAAMAPTNPC1
SCHEMBL9537099 0.80 SLC2A1 (0.40) KDM4EALDH1A1GAAMAPTNPC1
SCHEMBL9779193 0.79 KDM4E (0.40) KDM4EALDH1A1GAAMAPTNPC1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5008286-A Antitumor agents BURROUGHS WELLCOME CO. (US) 1991-04-16 US claimed
EP-0183439-A2 Polycyclic compounds, their preparation and use and formulations containing them THE WELLCOME FOUNDATION LIMITED (GB) 1986-06-04 EP claimed
EP-0183439-B1 POLYCYCLIC COMPOUNDS, THEIR PREPARATION AND USE AND FORMULATIONS CONTAINING THEM THE WELLCOME FOUNDATION LIMITED (GB) 1993-02-03 EP disclosed
US-5075455-A Microbiocides, antitumor agents BURROUGHS WELLCOME CO. (US) 1991-12-24 US disclosed
US-5049581-A Dibenzofurans having anti-tumor activity BURROUGHS WELLCOME CO. (US) 1991-09-17 US disclosed
US-5017600-A Antitumor BURROUGHS WELLCOME CO. (US) 1991-05-21 US disclosed
US-5008286-A Antitumor agents BURROUGHS WELLCOME CO. (US) 1991-04-16 US disclosed
US-4970227-A ANTITUMOR BURROUGHS WELLCOME CO. (US) 1990-11-13 US disclosed
US-4965285-A ANTITUMOR AGENTS BURROUGHS WELLCOME CO. (US) 1990-10-23 US disclosed
US-4866070-A ANTITUMOR AGENT BURROUGHS WELLCOME CO. (US) 1989-09-12 US disclosed
EP-0183439-A2 Polycyclic compounds, their preparation and use and formulations containing them THE WELLCOME FOUNDATION LIMITED (GB) 1986-06-04 EP disclosed