SCHEMBL6002132

SCHEMBL6002132

CSC(=S)NN=CCc1ccccn1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTH P32929 13/20 0.60
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
LMNA P02545 2/20 0.49
ALDH1A1 P00352 1/20 0.49
HKDC1 Q2TB90 1/20 0.43
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
KCNH2 Q12809 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TOP2A P11388 1/20 0.39

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
SCHEMBL12190592 0.81 RRM2 (0.48) LMNAHKDC1GAA
SCHEMBL14938442 0.77 SMN1; SMN2 (0.46) MEN1KMT2ALMNAALDH1A1HKDC1
SCHEMBL1982234 0.75 CTH (1.00) CTHMEN1KMT2ALMNAALDH1A1
SCHEMBL1982233 0.75 CTH (1.00) CTHMEN1KMT2ALMNAALDH1A1
SCHEMBL6002503 0.75 SMN1; SMN2 (0.45) MEN1KMT2ALMNAALDH1A1HKDC1
SCHEMBL9131054 0.73 RAB9A (0.59) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL10875086 0.71 SMN1; SMN2 (0.46) CTHMEN1KMT2ALMNAALDH1A1
SCHEMBL15882846 0.70 MEN1 (0.55) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL14938600 0.70 SMN1; SMN2 (0.43) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL8344559 0.70 HRH3 (0.44) LMNAALDH1A1MAPTTAAR1TDP1

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