SCHEMBL2907804

SCHEMBL2907804

CCc1cc(N2C(=O)CCNC2=O)cc(C(=O)Nc2ccc(NS(C)(=O)=O)cc2)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.39
RAB9A P51151 2/20 0.38
ATM Q13315 1/20 0.37
ITGA4 P13612 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 2/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 4/20 0.36
NPC1 O15118 2/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KMT2A Q03164 3/20 0.36
HPGD P15428 1/20 0.35
MEN1 O00255 2/20 0.35
MAPK1 P28482 1/20 0.35
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 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
SCHEMBL2910693 0.88 MAPT (0.40) XDHRAB9AATMITGA4L3MBTL1
SCHEMBL2913166 0.86 XDH (0.38) XDHRAB9AATMITGA4L3MBTL1
SCHEMBL1530723 0.79 ALDH1A1 (0.43) XDHRAB9AATMKDM4EALDH1A1
SCHEMBL2915031 0.78 MAPT (0.39) XDHRAB9AATMITGA4L3MBTL1
SCHEMBL2913154 0.76 BCL2L1 (0.35) RAB9AITGA4L3MBTL1KDM4EPOLB
SCHEMBL2907832 0.76 BCL2L1 (0.34) ITGA4L3MBTL1POLB
SCHEMBL2909890 0.76 CA1 (0.42) RAB9AKDM4EPOLBALDH1A1NPC1
SCHEMBL2915315 0.76 KIF18A (0.35) ITGA4L3MBTL1POLB
SCHEMBL2910190 0.75 GPR27 (0.42) KMT2AMEN1
SCHEMBL2916119 0.75 ALOX12 (0.37)

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