SCHEMBL9491365

SCHEMBL9491365

CN(C)C(=S)Oc1ccc(C#N)cc1C#N

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
AR P10275 3/20 0.34
CYP11B1 P15538 2/20 0.33
ESRRA P11474 1/20 0.33
LRRK2 Q5S007 1/20 0.33
CYP11B2 P19099 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNH2 Q12809 1/20 0.33
IMPDH2 P12268 1/20 0.33
IMPDH1 P20839 1/20 0.33

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
SCHEMBL28788737 0.83 AR (0.48) NCEH1L3MBTL1ALDH1A1ARCYP11B1
SCHEMBL9355516 0.79 TTR (0.33) NCEH1ALDH1A1
SCHEMBL9493355 0.79 GAA (0.44) ALDH1A1KDM4EARIMPDH2IMPDH1
SCHEMBL23141058 0.77 NCEH1 (0.38) NCEH1L3MBTL1SLC6A4SLC6A3
SCHEMBL30014522 0.77 NCEH1 (0.38) NCEH1L3MBTL1SLC6A4SLC6A3
SCHEMBL3319537 0.77 L3MBTL1 (0.35) L3MBTL1ALDH1A1KDM4EUSP2AR
SCHEMBL23176456 0.76 L3MBTL1 (0.41) NCEH1L3MBTL1ARPTGDR2SLC6A4
SCHEMBL9351842 0.75 NCEH1 (0.45) NCEH1CYP11B1CYP11B2SLC6A4SLC6A3
SCHEMBL2581486 0.75 ALDH1A1 (0.42) ALDH1A1CYP11B1CYP11B2SLC6A4
SCHEMBL9575901 0.74 NCEH1 (0.40) NCEH1KDM4ECYP11B1CYP11B2PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1024801-C Process for preparing beta-D-phenyl-thioxylosides and their use FOURNIER INNOVATION SYNERGIE (FR) 1994-06-01 CN disclosed
US-5246961-A Venous antithrombotics FOURNIER INDUSTRIE ET SANTE (FR) 1993-09-21 US disclosed
US-5101048-A Antithrombotics FOURNIER INDUSTRIE ET SANTE (FR) 1992-03-31 US disclosed
CN-1041948-A New this glucosides of B-D-phenyl sulfo-and preparation method thereof and therepic use FOURNIER INNOVATION SYNERGIE (FR) 1990-05-09 CN disclosed