SCHEMBL3742399

SCHEMBL3742399

COc1ccc(CCN2C(=O)CSC2c2ccc(C)c(C)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 10/20 1.00
GAA P10253 3/20 0.69
KDM4E B2RXH2 1/20 0.69
MAPT P10636 1/20 0.69
MAPK1 P28482 1/20 0.69
TDP1 Q9NUW8 1/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
PTGS1 P23219 1/20 0.67
PTGS2 P35354 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.64
KCNH2 Q12809 1/20 0.58
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
ALDH1A1 P00352 1/20 0.51
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL16209660 0.85 KMT2A (0.78) KCNA5GAAKDM4EMAPTMAPK1
SCHEMBL2879685 0.79 KCNA5 (0.71) KCNA5KCNH2
Hydrochloric Acid SCHEMBL2884137 0.78 KCNA5 (0.70) KCNA5KCNH2
SCHEMBL2885524 0.77 KCNA5 (0.63) KCNA5GAAKDM4EMAPTMAPK1
SCHEMBL2882881 0.76 KCNA5 (0.62) KCNA5GAAKDM4EMAPTMAPK1
SCHEMBL2879683 0.75 KCNA5 (0.64) KCNA5GAAKDM4EMAPTMAPK1
SCHEMBL2882065 0.75 KCNA5 (0.69) KCNA5KCNH2
SCHEMBL2879798 0.74 KCNA5 (0.73) KCNA5KCNH2
SCHEMBL2884600 0.74 KCNA5 (0.73) KCNA5KCNH2
SCHEMBL2884261 0.74 KCNA5 (1.00) KCNA5KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7833805-B2 Selectively permeable membranes on porous substrates UNIVERSITY OF CINCINNATI (US) 2010-11-16 US claimed
US-7833805-B2 Selectively permeable membranes on porous substrates UNIVERSITY OF CINCINNATI (US) 2010-11-16 US disclosed
US-20070116610-A1 Selectively permeable membranes on porous substrates CUPPOLETTI JOHN 2007-05-24 US disclosed
WO-2006047323-A2 SELECTIVELY PERMEABLE MEMBRANES ON POROUS SUBSTRATES UNIVERSITY OF CINCINNATI (US) 2006-05-04 WO disclosed
US-20060068503-A1 Solid support membranes for ion channel arrays and sensors: application ro rapid screening of pharmacological compounds CUPPOLETTI JOHN 2006-03-30 US disclosed