SCHEMBL9682118

SCHEMBL9682118

COC1CCC(C2=C(Cl)C(=O)c3ccccc3C2=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.44
DNMT1 P26358 1/20 0.44
DNMT3L Q9UJW3 1/20 0.44
DNMT3A Q9Y6K1 1/20 0.44
NSD2 O96028 5/20 0.43
G6PD P11413 1/20 0.43
CCR6 P51684 1/20 0.43
MAPT P10636 8/20 0.42
LMNA P02545 4/20 0.42
HPGD P15428 3/20 0.42
KMT2A Q03164 3/20 0.42
TP53 P04637 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
HIF1A Q16665 2/20 0.42
MEN1 O00255 2/20 0.42
USP2 O75604 2/20 0.42
TSHR P16473 1/20 0.42
RAF1 P04049 1/20 0.40
MAPK3 P27361 1/20 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
SCHEMBL1152811 0.82 MAPT (0.48) IDO1MAPTLMNAHPGDKMT2A
SCHEMBL916442 0.79 IDO1 (0.52) IDO1DNMT1DNMT3LDNMT3ANSD2
SCHEMBL11120217 0.79 IDO1 (0.52) IDO1DNMT1DNMT3LDNMT3ANSD2
SCHEMBL917110 0.79 CDC25B (0.46) IDO1DNMT1DNMT3LDNMT3ANSD2
SCHEMBL9856931 0.79 CDC25B (0.46) IDO1DNMT1DNMT3LDNMT3ANSD2
SCHEMBL917397 0.77 KMT2A (0.68) IDO1DNMT1DNMT3LDNMT3ANSD2
SCHEMBL12589641 0.77 KMT2A (0.68) IDO1DNMT1DNMT3LDNMT3ANSD2
SCHEMBL1542662 0.77 KMT2A (0.68) IDO1DNMT1DNMT3LDNMT3ANSD2
SCHEMBL917772 0.77 KMT2A (0.68) IDO1DNMT1DNMT3LDNMT3ANSD2
SCHEMBL11057934 0.74 IDO1 (0.40) IDO1DNMT1DNMT3LDNMT3ANSD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5175319-A Antiprotozoa agent, useful for treating malaria, theileriosis, coccidiosis and prophylaxix BURROUGHS WELLCOME CO. (US) 1992-12-29 US disclosed
US-5053432-A Antiprotozoa agents; treatment of malaria BURROUGHS WELLCOME CO. (US) 1991-10-01 US disclosed
EP-0123238-B1 NAPHTHOQUINONE DERIVATIVES THE WELLCOME FOUNDATION LIMITED (GB) 1987-06-10 EP disclosed
EP-0123238-A2 Naphthoquinone derivatives THE WELLCOME FOUNDATION LIMITED (GB) 1984-10-31 EP disclosed