SCHEMBL5388035

SCHEMBL5388035

CN(C)C(=O)Sc1cc(C#N)cc(SC(=O)N(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
GPR35 Q9HC97 4/20 0.38
TTR P02766 2/20 0.35
ALB P02768 2/20 0.35
ACHE P22303 1/20 0.33
NCEH1 Q6PIU2 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL4891100 0.96 ALDH1A1 (0.40) ALDH1A1GPR35TTRALBACHE
SCHEMBL17963944 0.89 ALDH1A1 (0.35) ALDH1A1GPR35NCEH1MEN1KMT2A
SCHEMBL29556360 0.89 ALDH1A1 (0.35) ALDH1A1GPR35NCEH1MEN1KMT2A
SCHEMBL24372708 0.84 ALDH1A1 (0.49) ALDH1A1ACHE
SCHEMBL5784328 0.83 ALDH1A1 (0.42) ALDH1A1MEN1KMT2A
SCHEMBL2580324 0.81 ALDH1A1 (0.43) ALDH1A1MEN1KMT2A
SCHEMBL12158729 0.79 GPR35 (0.36) ALDH1A1GPR35TTRALBNCEH1
SCHEMBL9351752 0.79 GPR35 (0.36) ALDH1A1GPR35TTRALBNCEH1
SCHEMBL9352583 0.78 NCEH1 (0.45) ALDH1A1ACHENCEH1MEN1KMT2A
SCHEMBL9495594 0.77 MMP3 (0.44) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7205428-B2 Thioether derivatives, their method for production and use NATIONAL INSTITUTE OF INFORMATION AND COMMUNICATIONS TECHNOLOGY, INCORPORATED ADMINISTRATIVE AGENCY (JP) 2007-04-17 US disclosed
EP-1219667-B1 Novel thioether derivatives, their method for production and use COMM RES LAB INDEPENDENT ADMIN (JP) 2004-08-04 EP disclosed
US-6630578-B2 Which respond immediately by emission of light when stimulated with light or electric energy, and are useful as switching material of memory COMMUNICATIONS RESEARCH LABORATORY, INDEPENDENT ADMINISTRATIVE INSTITUTION (JP) 2003-10-07 US disclosed
US-20030171507-A1 Novel thioether derivatives, their method for production and use NATIONAL INSTITUTE OF INFORMATION AND COMMUNICATIONS TECHNOLOGY, INCORPORATED ADMINISTRATIVE AGENCY (JP) 2003-09-11 US disclosed
EP-1219667-A2 Novel thioether derivatives, their method for production and use Communications Research Laboratory, Independent Administrative Institution (JP) 2002-07-03 EP disclosed
US-20020072583-A1 Novel thioether derivatives, their method for production and use NATIONAL INSTITUTE OF INFORMATION AND COMMUNICATIONS TECHNOLOGY, INCORPORATED ADMINISTRATIVE AGENCY (JP) 2002-06-13 US disclosed