SCHEMBL9856931

SCHEMBL9856931

CC(C)(C)C1CCC(C2=C(Cl)C(=O)c3ccccc3C2=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 1/20 0.46
IDO1 P14902 1/20 0.44
DNMT1 P26358 1/20 0.44
DNMT3L Q9UJW3 1/20 0.44
DNMT3A Q9Y6K1 1/20 0.44
MAPT P10636 9/20 0.42
LMNA P02545 5/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
HPGD P15428 3/20 0.42
USP2 O75604 2/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
HIF1A Q16665 1/20 0.42
ATM Q13315 2/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 3/20 0.41
NSD2 O96028 5/20 0.40

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
SCHEMBL917110 1.00 CDC25B (0.46) CDC25BIDO1DNMT1DNMT3LDNMT3A
SCHEMBL11028173 0.86 MAPT (0.42) CDC25BIDO1DNMT1DNMT3LDNMT3A
SCHEMBL1542903 0.82 CDC25B (0.56) CDC25BMAPTLMNAMEN1KMT2A
SCHEMBL917366 0.82 CDC25B (0.56) CDC25BMAPTLMNAMEN1KMT2A
SCHEMBL1151720 0.82 CDC25B (0.56) CDC25BMAPTLMNAMEN1KMT2A
SCHEMBL916442 0.79 IDO1 (0.52) CDC25BIDO1DNMT1DNMT3LDNMT3A
SCHEMBL11120217 0.79 IDO1 (0.52) CDC25BIDO1DNMT1DNMT3LDNMT3A
SCHEMBL9682118 0.79 IDO1 (0.44) CDC25BIDO1DNMT1DNMT3LDNMT3A
SCHEMBL11057934 0.77 IDO1 (0.40) IDO1DNMT1DNMT3LDNMT3AMAPT
SCHEMBL1542662 0.77 KMT2A (0.68) IDO1DNMT1DNMT3LDNMT3AMAPT

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
WO-2009122432-A2 PREPARATION OF NAPHTHOQUINONE COMPOUNDS USING 2, 3-DIHALONAPTHOQUINONE ALKEM LABORATORIES LTD. (IN) 2009-10-08 WO disclosed
US-5053418-A Synergistic mixture of 2-(4,-(4-chlorophenyl)cyclohexyl)3-hydr oxy-1,4 napthoquinone and 3,5-dichloro-2,6 dichloropyridinol BURROUGHS WELLCOME CO. (US) 1991-10-01 US disclosed
EP-0123239-B1 IMPROVEMENTS IN OR RELATING TO ANTIPROTOZOAL AGENTS THE WELLCOME FOUNDATION LIMITED (GB) 1991-09-11 EP 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
EP-0123239-A2 Improvements in or relating to antiprotozoal agents THE WELLCOME FOUNDATION LIMITED (GB) 1984-10-31 EP 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