SCHEMBL9493355

SCHEMBL9493355

CN(C)C(=S)Oc1ccccc1C#N

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 3/20 0.38
TSHR P16473 2/20 0.38
HPGD P15428 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
MAOA P21397 1/20 0.38
HTR2B P41595 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
IMPDH2 P12268 1/20 0.35

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
SCHEMBL9575885 0.82 ELANE (0.43) GAASMN1; SMN2MAPK1ALDH1A1TSHR
SCHEMBL9491365 0.79 NCEH1 (0.42) ALDH1A1KDM4EIMPDH2IMPDH1AR
SCHEMBL3319537 0.78 L3MBTL1 (0.35) ALDH1A1KDM4EARPGR
SCHEMBL27347036 0.77 SMN1; SMN2 (0.46) GAAPOLBSMN1; SMN2MAPK1ALDH1A1
SCHEMBL10630897 0.77 GAA (0.43) GAAPOLBSMN1; SMN2MAPK1ALDH1A1
SCHEMBL24813703 0.74 TP53 (0.48) GAAPOLBSMN1; SMN2MAPK1ALDH1A1
SCHEMBL13158912 0.74 ALDH1A1 (0.39) GAAPOLBSMN1; SMN2ALDH1A1TSHR
SCHEMBL8537943 0.74 HTR7 (0.47) SMN1; SMN2MAPK1ALDH1A1RAB9AADRA2A
SCHEMBL28855121 0.74 GAA (0.44) GAAPOLBSMN1; SMN2MAPK1ALDH1A1
SCHEMBL5473941 0.73 PTGS2 (0.52) GAAPOLBSMN1; SMN2MAPK1ALDH1A1

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