SCHEMBL2913787

SCHEMBL2913787

COc1c(C(=O)Nc2ccc(NS(=O)(=O)CCO)cc2)cc(N2C(=O)CCNC2=O)cc1C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KIF18A Q8NI77 17/20 0.39
NR1H4 Q96RI1 1/20 0.37
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
BCL2 P10415 1/20 0.34

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
SCHEMBL2909532 0.94 NR1H4 (0.39) KIF18ANR1H4MAPTTSHRHSD17B10
SCHEMBL2915751 0.92 NR1H4 (0.34) KIF18ANR1H4MAPTTSHRHSD17B10
SCHEMBL2915115 0.90 BCL2 (0.37) NR1H4MAPTTSHRHSD17B10BCL2
SCHEMBL2913182 0.90 NR1H4 (0.36) KIF18ANR1H4MAPTTSHRHSD17B10
SCHEMBL2915249 0.88 ITGA4 (0.39) MAPTTSHRHSD17B10
SCHEMBL2907824 0.86 MAPT (0.39) KIF18ANR1H4MAPTTSHRHSD17B10
SCHEMBL2915481 0.85 NR1H4 (0.41) NR1H4MAPTTSHRHSD17B10BCL2
SCHEMBL2915054 0.85 NR1H4 (0.40) NR1H4MAPTTSHRHSD17B10
SCHEMBL2913600 0.85 NR1H4 (0.40) NR1H4MAPTTSHRHSD17B10
SCHEMBL2913384 0.85 NR1H4 (0.40) NR1H4MAPTTSHRHSD17B10

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-2222646-A1 URACIL OR THYMINE DERIVATIVE FOR TREATING HEPATITIS C Abbott Laboratories (US) 2010-09-01 EP disclosed
WO-2009039127-A1 URACIL OR THYMINE DERIVATIVE FOR TREATING HEPATITIS C ABBOTT LABORATORIES (US) 2009-03-26 WO disclosed