SCHEMBL394196

SCHEMBL394196

CC(C)(C)OC(=O)N1C[C@@H]1COS(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
HSD11B1 P28845 4/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MCL1 Q07820 4/20 0.40
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
HSP90AA1 P07900 1/20 0.39
ALOX5 P09917 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
GHSR Q92847 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL31715477 0.90 ALDH1A1 (0.49) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL2954985 0.84 PRMT5 (0.42) ALDH1A1HSD11B1KMT2APRMT5WDR77
SCHEMBL1150225 0.81 ALDH1A1 (0.52) ALDH1A1LMNAMAPTKMT2AMCL1
SCHEMBL9216185 0.80 ALDH1A1 (0.49) ALDH1A1LMNAMAPTPRMT5WDR77
SCHEMBL9215446 0.80 ALDH1A1 (0.49) ALDH1A1LMNAMAPTPRMT5WDR77
SCHEMBL9214380 0.80 ALDH1A1 (0.49) ALDH1A1LMNAMAPTPRMT5WDR77
SCHEMBL4924131 0.77 LMNA (0.51) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL31207347 0.77 ALDH1A1 (0.41) ALDH1A1LMNAMAPTHSD11B1MEN1
SCHEMBL30794155 0.77 ALDH1A1 (0.48) ALDH1A1LMNAMAPTGPR119
SCHEMBL14815143 0.77 CYP3A4 (0.50) ALDH1A1LMNAHSD11B1MEN1KMT2A

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-8101595-B2 Antiviral indoles Istituto di Ricerche di Biologia Molecolare P. Angletti SpA (IT) 2012-01-24 US disclosed
US-7989438-B2 Therapeutic compounds ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-08-02 US disclosed