SCHEMBL6299338

SCHEMBL6299338

CC(S)Cn1c(=O)n(C)c(=O)c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
HSD17B10 Q99714 2/20 0.55
KDM4E B2RXH2 1/20 0.55
LMNA P02545 1/20 0.55
MAPK1 P28482 1/20 0.55
HTT P42858 1/20 0.55
AGER Q15109 1/20 0.54
ERCC1 P07992 1/20 0.47
FEN1 P39748 1/20 0.47
ERCC4 Q92889 1/20 0.47
SLC16A1 P53985 1/20 0.47
PGR P06401 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PDE2A O00408 2/20 0.42
PDE1A P54750 2/20 0.42
PDE1B Q01064 2/20 0.42
PDE1C Q14123 2/20 0.42
RORA P35398 1/20 0.41

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
SCHEMBL6294298 0.80 KDM4E (0.58) TSHRHSD17B10KDM4ELMNAMAPK1
SCHEMBL6366020 0.79 PGR (0.64) TSHRHSD17B10KDM4ELMNAMAPK1
SCHEMBL6293988 0.77 KDM4E (0.56) TSHRHSD17B10KDM4ELMNAMAPK1
SCHEMBL7649524 0.74 TSHR (0.56) TSHRHSD17B10KDM4ELMNAMAPK1
SCHEMBL10760314 0.74 TSHR (0.56) TSHRHSD17B10KDM4ELMNAMAPK1
SCHEMBL9378270 0.74 KDM4E (0.56) TSHRHSD17B10KDM4ELMNAMAPK1
SCHEMBL7017646 0.74 ERCC1 (0.53) TSHRHSD17B10KDM4ELMNAMAPK1
SCHEMBL7649598 0.73 TSHR (0.55) TSHRHSD17B10KDM4ELMNAMAPK1
SCHEMBL6300121 0.73 PARP1 (0.46) TSHRHSD17B10SMN1; SMN2TDP1L3MBTL1
SCHEMBL6366340 0.73 ERCC1 (0.69) TSHRHSD17B10KDM4ELMNAMAPK1

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