SCHEMBL10911466

SCHEMBL10911466

Nc1nc(=O)n([C@@H]2O[C@H](C(O)Br)[C@@H](O)[C@H]2O)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.42
▸ PRMT5 O14744 8/20 0.37
▸ WDR77 Q9BQA1 6/20 0.37
▸ LMNA P02545 2/20 0.37
▸ MTOR P42345 2/20 0.37
▸ THRB P10828 1/20 0.37
▸ MDM2 Q00987 1/20 0.37
▸ NCOA1 Q15788 1/20 0.37
▸ NCOA3 Q9Y6Q9 1/20 0.37
▸ GMNN O75496 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ DNMT1 P26358 1/20 0.37
▸ THPO P40225 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ HBB P68871 1/20 0.37
▸ PMP22 Q01453 1/20 0.37

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
SCHEMBL5614120 0.88 NT5E (0.42) NT5EPRMT5WDR77LMNAMTOR
SCHEMBL770117 0.78 LMNA (0.62) LMNAMTORTHRBMDM2NCOA1
SCHEMBL2577234 0.78 LMNA (0.62) LMNAMTORTHRBMDM2NCOA1
SCHEMBL4946500 0.78 NT5E (0.65) NT5ELMNAMTORTHRBMDM2
SCHEMBL770116 0.78 LMNA (0.62) LMNAMTORTHRBMDM2NCOA1
SCHEMBL4428196 0.77 LMNA (0.43) NT5EPRMT5WDR77LMNAMTOR
SCHEMBL1740045 0.74 ALB (0.45) NT5EPRMT5WDR77LMNAMTOR
SCHEMBL11208918 0.72 LMNA (0.49) LMNAMTORTHRBMDM2NCOA1
Hydrochloric Acid SCHEMBL10887377 0.71 LMNA (0.48) LMNAMTORTHRBMDM2NCOA1
Hydrochloric Acid SCHEMBL10887370 0.71 LMNA (0.48) LMNAMTORTHRBMDM2NCOA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4617189-A Use of selenium-containing compounds for negating the toxic effects of platinum compounds used in chemotherapy, and a novel selenium-containing platinum compound and use thereof as an anti-cancer medicine STOCKEL RICHARD F (US) 1986-10-14 — — US disclosed
US-4536571-A SEFL-DETOXIFYING ANTICARCINOGENIC AGENT STOCKEL RICHARD F (US) 1985-08-20 — — US disclosed
Send feedback