SCHEMBL11029629

SCHEMBL11029629

CC(C)(C)C1CCC(CC2=C(Cl)C(=O)c3ccccc3C2=O)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 2/20 0.66
IDO1 P14902 1/20 0.41
DNMT1 P26358 1/20 0.41
DNMT3L Q9UJW3 1/20 0.41
DNMT3A Q9Y6K1 1/20 0.41
MAPT P10636 11/20 0.40
HTT P42858 6/20 0.40
TDP1 Q9NUW8 5/20 0.40
LMNA P02545 5/20 0.40
ALDH1A1 P00352 4/20 0.40
MITF O75030 3/20 0.40
USP2 O75604 1/20 0.40
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 7/20 0.39
NSD2 O96028 6/20 0.39
MAPK1 P28482 6/20 0.39
KDM4E B2RXH2 3/20 0.39
HSP90AA1 P07900 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
CDC25A P30304 3/20 0.38

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
SCHEMBL29835789 1.00 CDC25B (0.66) CDC25BIDO1DNMT1DNMT3LDNMT3A
SCHEMBL11029625 1.00 CDC25B (0.66) CDC25BIDO1DNMT1DNMT3LDNMT3A
SCHEMBL11037610 1.00 CDC25B (0.66) CDC25BIDO1DNMT1DNMT3LDNMT3A
Buparvaquone SCHEMBL9598809 0.83 CDC25B (0.82) CDC25BMAPTHTTTDP1LMNA
Buparvaquone SCHEMBL22978 0.83 CDC25B (0.82) CDC25BMAPTHTTTDP1LMNA
Buparvaquone SCHEMBL21863689 0.83 CDC25B (0.82) CDC25BMAPTHTTTDP1LMNA
Buparvaquone SCHEMBL30634020 0.83 CDC25B (0.82) CDC25BMAPTHTTTDP1LMNA
Buparvaquone SCHEMBL11030015 0.83 CDC25B (0.82) CDC25BMAPTHTTTDP1LMNA
Buparvaquone SCHEMBL23064136 0.81 CDC25B (0.79) CDC25BMAPTHTTTDP1LMNA
SCHEMBL30372521 0.81 CDC25B (0.63) CDC25BMAPTHTTTDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110734368-B Preparation method of buparvaquone 新发药业有限公司 2022-08-12 CN disclosed
CN-110734368-A Preparation method of buparvaquone 新发药业有限公司 2020-01-31 CN disclosed
CN-105198718-A Preparation method for buparvaquone SHANDONG CHUANCHENG MEDICINE CO LTD 2015-12-30 CN disclosed
EP-0077551-B1 1.4-NAPHTHOQUINONES, METHODS FOR THEIR PREPARATION, PHARMACEUTICAL AND VETERINARY FORMULATIONS THEREOF THE WELLCOME FOUNDATION LIMITED (GB) 1985-06-12 EP disclosed
US-4485117-A ANTIMALARIAL AND ANTICOCCIDIAL; HYDROXYNAPHTHOQUINONES BURROUGHS WELLCOME CO., A CORP OF NORTH CAROLINA 1984-11-27 US disclosed
EP-0077551-A2 1.4-Naphthoquinones, methods for their preparation, pharmaceutical and veterinary formulations thereof THE WELLCOME FOUNDATION LIMITED (GB) 1983-04-27 EP disclosed