SCHEMBL4402282

SCHEMBL4402282

Cc1ccc(C)c(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)c4ccccc4)cc3)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
POLB P06746 1/20 0.53
MAPT P10636 1/20 0.53
HTR6 P50406 2/20 0.48
GAA P10253 2/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
SFRP1 Q8N474 1/20 0.47
HTT P42858 3/20 0.46
TDP1 Q9NUW8 2/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 2/20 0.42
MMP1 P03956 1/20 0.42

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
SCHEMBL13321733 0.95 HTR6 (0.49) ALDH1A1SMN1; SMN2POLBMAPTHTR6
SCHEMBL4403008 0.95 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2POLBMAPTHTR6
SCHEMBL757794 0.92 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2POLBMAPTHTR6
SCHEMBL30963734 0.92 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2POLBMAPTHTR6
SCHEMBL13321736 0.87 HTT (0.59) ALDH1A1SMN1; SMN2MAPTHTR6GAA
SCHEMBL11599302 0.84 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2POLBMAPTHTR6
SCHEMBL11127859 0.84 GAA (0.60) ALDH1A1MAPTGAAL3MBTL1HTT
SCHEMBL20198343 0.83 HSD11B1 (0.54) ALDH1A1SMN1; SMN2POLBMAPTHTR6
SCHEMBL12336795 0.82 GAA (0.70) ALDH1A1SMN1; SMN2POLBMAPTHTR6
SCHEMBL8057518 0.82 L3MBTL1 (0.58) ALDH1A1SMN1; SMN2POLBMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1675930-B1 NEW MATERIALS FOR ELECTROLUMINESCENCE AND THE UTILIZATION THEREOF MERCK PATENT GMBH (DE) 2018-05-30 EP disclosed
US-8173276-B2 Materials for electroluminescence and the utilization thereof MERCK PATENT GMBH (DE) 2012-05-08 US disclosed
US-8173276-B2 Materials for electroluminescence and the utilization thereof MERCK PATENT GMBH (DE) 2012-05-08 US disclosed
US-20100102305-A1 MATERIALS FOR ELECTROLUMINESCENCE AND THE UTILIZATION THEREOF MERCK PATENT GMBH (DE) 2010-04-29 US disclosed
US-20100102305-A1 MATERIALS FOR ELECTROLUMINESCENCE AND THE UTILIZATION THEREOF MERCK PATENT GMBH (DE) 2010-04-29 US disclosed
US-7659540-B2 Materials for electroluminescence and the utilization thereof MERCK PATENT GMBH (DE) 2010-02-09 US disclosed
US-7659540-B2 Materials for electroluminescence and the utilization thereof MERCK PATENT GMBH (DE) 2010-02-09 US disclosed
US-20070080343-A1 New materials for electroluminescence and the utilization thereof MERCK PATENT GMBH (DE) 2007-04-12 US disclosed
US-20070080343-A1 New materials for electroluminescence and the utilization thereof MERCK PATENT GMBH (DE) 2007-04-12 US disclosed