SCHEMBL6300064

SCHEMBL6300064

COc1cc2[nH]c(=S)n(C)c(=O)c2cc1OC

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MPO P05164 2/20 0.70
XDH P47989 2/20 0.70
ALDH1A1 P00352 11/20 0.68
HSD17B10 Q99714 2/20 0.66
POLB P06746 2/20 0.63
HTT P42858 2/20 0.63
PKM P14618 1/20 0.63
IMPDH2 P12268 1/20 0.62
MAPK1 P28482 3/20 0.60
ALOX15 P16050 1/20 0.60
RXFP1 Q9HBX9 2/20 0.56
MAPT P10636 2/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55

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
SCHEMBL15537894 0.83 ALDH1A1 (0.73) MPOXDHALDH1A1HSD17B10POLB
SCHEMBL2732716 0.83 MPO (0.68) MPOXDHALDH1A1HSD17B10POLB
SCHEMBL2730975 0.83 MPO (1.00) MPOXDHALDH1A1HSD17B10POLB
SCHEMBL18708215 0.81 ALDH1A1 (1.00) MPOXDHALDH1A1HSD17B10HTT
SCHEMBL20289726 0.81 MPO (0.54) MPOXDHALDH1A1HSD17B10POLB
SCHEMBL2731141 0.80 MPO (1.00) MPOXDHALDH1A1HSD17B10POLB
SCHEMBL2722783 0.79 MPO (0.63) MPOXDHALDH1A1HSD17B10POLB
SCHEMBL2731426 0.78 ALDH1A1 (0.74) MPOXDHALDH1A1HSD17B10HTT
SCHEMBL2730558 0.77 ALDH1A1 (0.73) MPOXDHALDH1A1HSD17B10HTT
SCHEMBL10288923 0.76 ALDH1A1 (0.79) MPOXDHALDH1A1HSD17B10HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6872727-B1 Polycyclic pyrimidine -2,4(1H,3H)-diones with functionalized alkyl residues at the 1- and/or 3-position(s); methods for their synthesis and pharmaceutical preparation PRIVATES INSTITUT FUR BIOMEDIZINISCHE FORSCHUNG UND BERATUNG (DE) 2005-03-29 US disclosed