Sugi Predict

Sugi Predict / Compounds / Fentonium

Fentonium

Fentonium

SCHEMBL13724144

CCN1C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12.C[N+]1(CC(=O)c2ccc(-c3ccccc3)cc2)C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 3/20 0.58
▸ TSHR P16473 3/20 0.58
▸ CHRM2 P08172 3/20 0.58
▸ CHRM4 P08173 2/20 0.58
▸ LMNA P02545 2/20 0.58
▸ CHRM5 P08912 1/20 0.58
▸ CHRM3 P20309 1/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ NFKB1 P19838 1/20 0.58
▸ HIF1A Q16665 1/20 0.58
▸ KMT2A Q03164 3/20 0.57
▸ TDP1 Q9NUW8 2/20 0.57
▸ BLM P54132 2/20 0.57
▸ MEN1 O00255 2/20 0.57
▸ ALDH1A1 P00352 1/20 0.56
▸ TP53 P04637 1/20 0.56
▸ PABPC1 P11940 1/20 0.54
▸ CYP2C19 P33261 1/20 0.53

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
Fentonium SCHEMBL251444 0.89 CHRM2 (0.68) CHRM1TSHRCHRM2CHRM4LMNA
Fentonium SCHEMBL30186606 0.88 BLM (0.69) CHRM1TSHRCHRM2CHRM4LMNA
Fentonium SCHEMBL24584 0.88 BLM (0.69) CHRM1TSHRCHRM2CHRM4LMNA
Fentonium SCHEMBL24583 0.88 BLM (0.69) CHRM1TSHRCHRM2CHRM4LMNA
SCHEMBL183762 0.84 CHRM1 (0.81) CHRM1TSHRCHRM2CHRM4LMNA
Hydrochloric Acid SCHEMBL1724312 0.83 KMT2A (0.81) CHRM1TSHRCHRM2CHRM4LMNA
SCHEMBL3717242 0.78 CHRM1 (0.70) CHRM1TSHRCHRM2CHRM4LMNA
Bromide SCHEMBL9092641 0.76 BLM (0.73) CHRM1TSHRCHRM2CHRM4LMNA
Xenytropium SCHEMBL29361010 0.76 CHRM2 (0.71) CHRM1TSHRCHRM2CHRM4LMNA
Xenytropium SCHEMBL30428452 0.76 CHRM2 (0.71) CHRM1TSHRCHRM2CHRM4LMNA

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
EP-2699579-A1 PYRAZOLO [4, 3-D]PYRIMIDINES USEFUL AS KINASE INHIBITORS Origenis GmbH (DE) 2014-02-26 — — EP disclosed
EP-2699572-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS Origenis GmbH (DE) 2014-02-26 — — EP disclosed
WO-2012143144-A1 PYRAZOLO [4, 3-D] PYRIMIDINES USEFUL AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2012-10-26 — — WO disclosed
WO-2012143143-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2012-10-26 — — WO disclosed