SCHEMBL13464147

SCHEMBL13464147

C=C1C=C(Cl)C(=O)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.52
▸ DNMT1 P26358 1/20 0.52
▸ DNMT3L Q9UJW3 1/20 0.52
▸ DNMT3A Q9Y6K1 1/20 0.52
▸ MEN1 O00255 5/20 0.48
▸ KMT2A Q03164 5/20 0.48
▸ CDC25B P30305 3/20 0.48
▸ MAPT P10636 6/20 0.46
▸ LMNA P02545 5/20 0.46
▸ PTPRC P08575 4/20 0.46
▸ MAPK1 P28482 4/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ KDM4E B2RXH2 4/20 0.46
▸ S100A4 P26447 3/20 0.46
▸ BLM P54132 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ APAF1 O14727 2/20 0.46
▸ TDP2 O95551 2/20 0.46
▸ PLIN1 O60240 2/20 0.46
▸ MAOA P21397 2/20 0.46

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
SCHEMBL917548 0.79 IDO1 (0.56) IDO1DNMT1DNMT3LDNMT3AMEN1
SCHEMBL29633271 0.79 IDO1 (0.56) IDO1DNMT1DNMT3LDNMT3AMEN1
SCHEMBL13894576 0.76 MAPT (0.52) IDO1DNMT1DNMT3LDNMT3AMEN1
SCHEMBL13894577 0.76 CDC25B (0.63) IDO1DNMT1DNMT3LDNMT3AMEN1
SCHEMBL7997569 0.76 SLC2A1 (0.57) IDO1DNMT1DNMT3LDNMT3AMEN1
SCHEMBL5091710 0.74 CDC25B (0.48) IDO1DNMT1DNMT3LDNMT3AMEN1
SCHEMBL10345725 0.72 KMT2A (0.42) IDO1DNMT1DNMT3LDNMT3AMEN1
SCHEMBL10343653 0.71 TTR (0.43) IDO1DNMT1DNMT3LDNMT3AMEN1
SCHEMBL16138415 0.71 CDC25B (0.67) IDO1DNMT1DNMT3LDNMT3AMEN1
SCHEMBL2529860 0.70 PTPRC (0.59) IDO1DNMT1DNMT3LDNMT3AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010023686-A2 CRYSTALLINE FORM OF 2-CHLORO-3-[4-(4-CHLOROPHENYL) CYCLOHEXYL] [1,4]NAPHTHOQUINONE, PROCESS FOR THE SAME AND USE FOR PRODUCING 2-[4-(4-CHLOROPHENYL)CYCLOHEXYL]-3- HYDROXY- 1,4- NAPHTHOQUINONE MATRIX LABORATORIES LIMITED (IN) 2010-03-04 — — WO disclosed
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