SCHEMBL6000579

SCHEMBL6000579

NC(=S)NN=CCc1ccccc1Nc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 2/20 0.39
GAA P10253 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAOB P27338 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CTSL P07711 1/20 0.38
MAOA P21397 1/20 0.38

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
SCHEMBL25344211 0.78 KDM4E (0.55) POLBHTTNPSR1KDM4EGAA
SCHEMBL8590556 0.77 ALDH1A1 (0.54) POLBHTTKDM4EGAAL3MBTL1
SCHEMBL8590561 0.77 ALDH1A1 (0.54) POLBHTTKDM4EGAAL3MBTL1
SCHEMBL6002516 0.77 POLB (0.43) POLBHTTNPSR1KDM4EGAA
SCHEMBL17666943 0.76 ALDH1A1 (0.53) POLBHTTNPSR1KDM4EGAA
SCHEMBL17666941 0.76 ALDH1A1 (0.53) POLBHTTNPSR1KDM4EGAA
SCHEMBL3839168 0.72 PKM (0.50) KDM4EGAAALDH1A1
SCHEMBL6002142 0.71 HTT (0.49) POLBHTTNPSR1KDM4EGAA
SCHEMBL6046931 0.69 MAPT (0.45) HTTKDM4EGAAL3MBTL1ALDH1A1
SCHEMBL3635728 0.69 MAPT (0.45) NPSR1KDM4EGAAL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1734939-A1 ANTI-PARASITIC COMPOUNDS AND METHODS OF THEIR USE The Regents of The University of California (US) 2006-12-27 EP disclosed
WO-2005087211-A1 ANTI-PARASITIC COMPOUNDS AND METHODS OF THEIR USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-09-22 WO disclosed