SCHEMBL2913166

SCHEMBL2913166

CC(C)(C)c1cc(N2C(=O)CCNC2=O)cc(C(=O)Nc2ccc(NS(C)(=O)=O)cc2)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.38
ATM Q13315 1/20 0.37
ITGA4 P13612 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KIF18A Q8NI77 1/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 3/20 0.35
BCL2L1 Q07817 1/20 0.35
MEN1 O00255 2/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.34
CFTR P13569 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
HTT P42858 1/20 0.33

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
SCHEMBL2910190 0.89 GPR27 (0.42) KMT2AMEN1
SCHEMBL2910683 0.88 ALDH1A1 (0.36) ITGA4L3MBTL1RAB9AALDH1A1BCL2L1
SCHEMBL2907832 0.88 BCL2L1 (0.34) ITGA4L3MBTL1KIF18ABCL2L1CFTR
SCHEMBL2913154 0.88 BCL2L1 (0.35) ITGA4L3MBTL1KIF18ARAB9AALDH1A1
SCHEMBL2910962 0.88 RAB9A (0.39) L3MBTL1RAB9ANPC1SMN1; SMN2NPSR1
SCHEMBL2912963 0.88 ALDH1A1 (0.42) ITGA4L3MBTL1RAB9ANPC1SMN1; SMN2
SCHEMBL2914837 0.87 KMT2A (0.41) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL2915315 0.87 KIF18A (0.35) ITGA4L3MBTL1KIF18ABCL2L1
SCHEMBL2907804 0.86 XDH (0.39) XDHATMITGA4L3MBTL1RAB9A
SCHEMBL2915358 0.86 ACLY (0.32) NPC1NPSR1ALDH1A1LMNA

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