SCHEMBL16085394

SCHEMBL16085394

CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccc(C#N)cc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 1.00
▸ LMNA P02545 4/20 1.00
▸ POLB P06746 2/20 1.00
▸ MEN1 O00255 2/20 0.74
▸ KMT2A Q03164 2/20 0.74
▸ TSHR P16473 1/20 0.74
▸ RAB9A P51151 2/20 0.67
▸ SIRT2 Q8IXJ6 8/20 0.66
▸ ALDH1A1 P00352 3/20 0.62
▸ NPC1 O15118 1/20 0.62
▸ MAPT P10636 3/20 0.62
▸ GAA P10253 1/20 0.59
▸ APEX1 P27695 1/20 0.58
▸ HSP90AA1 P07900 1/20 0.57
▸ MAPK1 P28482 1/20 0.57

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
SCHEMBL14485108 0.86 SMN1; SMN2 (1.00) SMN1; SMN2LMNAPOLBMEN1KMT2A
SCHEMBL14485232 0.85 MAPT (0.82) SMN1; SMN2LMNAPOLBMEN1KMT2A
SCHEMBL15838893 0.84 LMNA (0.73) SMN1; SMN2LMNAPOLBMEN1KMT2A
SCHEMBL15952977 0.84 SIRT2 (0.90) SMN1; SMN2LMNAPOLBSIRT2
SCHEMBL15838850 0.82 LMNA (0.69) SMN1; SMN2LMNAPOLBMEN1KMT2A
SCHEMBL15838777 0.82 SIRT2 (0.78) SMN1; SMN2LMNAPOLBMEN1KMT2A
SCHEMBL15953983 0.81 SIRT2 (0.86) SMN1; SMN2LMNAPOLBSIRT2
SCHEMBL15838811 0.81 SIRT2 (0.83) SMN1; SMN2LMNAPOLBSIRT2
SCHEMBL13532179 0.80 LMNA (1.00) SMN1; SMN2LMNAPOLBMEN1KMT2A
SCHEMBL15953200 0.80 SIRT2 (1.00) SMN1; SMN2LMNAPOLBMEN1KMT2A

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
WO-2014145642-A9 NRF2 SMALL MOLECULE INHIBITORS FOR CANCER THERAPY THE JOHNS HOPKINS UNIVERSITY (US) 2014-11-13 — — WO disclosed
WO-2014145642-A2 NRF2 SMALL MOLECULE INHIBITORS FOR CANCER THERAPY THE JOHNS HOPKINS UNIVERSITY (US) 2014-09-18 — — WO disclosed
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