SCHEMBL7997569

SCHEMBL7997569

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.57
▸ IDO1 P14902 2/20 0.50
▸ DNMT1 P26358 1/20 0.50
▸ DNMT3L Q9UJW3 1/20 0.50
▸ DNMT3A Q9Y6K1 1/20 0.50
▸ S100A4 P26447 3/20 0.46
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ CDC25B P30305 2/20 0.46
▸ MAPT P10636 5/20 0.44
▸ PTPRC P08575 4/20 0.44
▸ MAPK1 P28482 4/20 0.44
▸ LMNA P02545 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ NPSR1 Q6W5P4 3/20 0.44
▸ CES2 O00748 2/20 0.44
▸ CES1 P23141 2/20 0.44
▸ APAF1 O14727 2/20 0.44

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 0.77 IDO1 (0.56) IDO1DNMT1DNMT3LDNMT3AS100A4
SCHEMBL29633271 0.77 IDO1 (0.56) IDO1DNMT1DNMT3LDNMT3AS100A4
Hydrogen Sulfide SCHEMBL28329325 0.76 IDO1 (0.54) IDO1DNMT1DNMT3LDNMT3AS100A4
SCHEMBL13464147 0.76 IDO1 (0.52) IDO1DNMT1DNMT3LDNMT3AS100A4
SCHEMBL3273421 0.74 SLC2A1 (0.96) SLC2A1IDO1DNMT1DNMT3LDNMT3A
SCHEMBL5091710 0.73 CDC25B (0.48) IDO1DNMT1DNMT3LDNMT3AS100A4
Hydrochloric Acid SCHEMBL29365758 0.72 SLC2A1 (1.00) SLC2A1IDO1DNMT1DNMT3LDNMT3A
Hydrochloric Acid SCHEMBL3343803 0.72 SLC2A1 (1.00) SLC2A1IDO1DNMT1DNMT3LDNMT3A
SCHEMBL2799752 0.69 SLC2A1 (0.56) SLC2A1IDO1DNMT1DNMT3LDNMT3A
SCHEMBL2529860 0.68 PTPRC (0.59) IDO1DNMT1DNMT3LDNMT3AS100A4

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-2010005534-A2 PROTEASOME INHIBITORS FOR SELECTIVELY INDUCING APOPTOSIS IN CANCER CELLS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2010-01-14 — — WO disclosed
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