SCHEMBL6002142

SCHEMBL6002142

NC(=S)NN=CCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.82

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.49
POLB P06746 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MAOA P21397 1/20 0.48
LMNA P02545 3/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 2/20 0.47
MAPT P10636 2/20 0.47
EGFR P00533 1/20 0.45
GAA P10253 3/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CTSL P07711 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL17666941 0.90 ALDH1A1 (0.53) HTTPOLBNPSR1MAOALMNA
SCHEMBL17666943 0.90 ALDH1A1 (0.53) HTTPOLBNPSR1MAOALMNA
SCHEMBL6002137 0.87 POLB (0.46) HTTPOLBNPSR1MAOALMNA
SCHEMBL6002032 0.84 MAOA (0.44) HTTPOLBNPSR1MAOAGAA
SCHEMBL6002455 0.82 MAOA (0.51) POLBMAOALMNAKDM4EMAPT
Biphenyl SCHEMBL27953789 0.81 POLB (0.51) HTTPOLBNPSR1MAOALMNA
SCHEMBL6002151 0.78 MAOA (0.46) POLBMAOALMNAKDM4EALDH1A1
SCHEMBL28188941 0.76 MAOA (0.52) MAOAALDH1A1
SCHEMBL6002516 0.76 POLB (0.43) HTTPOLBNPSR1MAOALMNA
SCHEMBL14497969 0.76 KDM4E (0.76) HTTPOLBMAOALMNAKMT2A

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