SCHEMBL6000591

SCHEMBL6000591

CC(=O)c1cccc(CC=NNC(N)=S)n1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
KDM4E B2RXH2 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAOA P21397 1/20 0.38
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GUSB P08236 1/20 0.36
MAOB P27338 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
MPI P34949 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
SCHEMBL21113697 0.73 BRD4 (0.40) KDM4ELMNAMAPT
SCHEMBL6002128 0.73 ALDH1A1 (0.45) POLBMAOA
SCHEMBL5527650 0.72 ATM (0.51)
SCHEMBL5527648 0.72 ATM (0.51)
SCHEMBL12190592 0.72 RRM2 (0.48) POLBKDM4EL3MBTL1GAAMAOB
SCHEMBL31192684 0.72 ATM (0.51)
SCHEMBL21113703 0.72 BRD4 (0.34) POLB
SCHEMBL21113675 0.72 CYP2C9 (0.39) KDM4EGAASMN1; SMN2MAPT
SCHEMBL21113679 0.71 BRD4 (0.45) POLBKDM4EGAASMN1; SMN2LMNA
SCHEMBL21113641 0.71 KCNH2 (0.37) SMN1; SMN2LMNA

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