SCHEMBL2907867

SCHEMBL2907867

CCC(=O)N(c1ccc(NC(=O)c2cc(N3C(=O)CCNC3=O)cc(C(C)(C)C)c2OC)cc1)S(C)(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.35
MAPT P10636 6/20 0.35
HSD17B10 Q99714 3/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.34
KDM4E B2RXH2 3/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
USP2 O75604 2/20 0.34
BCL2 P10415 1/20 0.33
ALDH1A1 P00352 7/20 0.33
TP53 P04637 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HTT P42858 2/20 0.32
ITGA4 P13612 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CRBN Q96SW2 1/20 0.32

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
SCHEMBL2914099 0.94 NR1H4 (0.35) NR1H4MAPTHSD17B10TSHRSMN1; SMN2
SCHEMBL2910166 0.92 MAPT (0.36) NR1H4MAPTHSD17B10TSHRSMN1; SMN2
SCHEMBL2907495 0.90 NR1H4 (0.36) NR1H4MAPTHSD17B10TSHRSMN1; SMN2
SCHEMBL2915395 0.89 BCL2 (0.36) NR1H4MAPTHSD17B10TSHRSMN1; SMN2
SCHEMBL2907607 0.89 MAPT (0.34) NR1H4MAPTHSD17B10TSHRSMN1; SMN2
SCHEMBL15654048 0.88 BCL2 (0.34) NR1H4MAPTHSD17B10TSHRSMN1; SMN2
SCHEMBL2907218 0.87 NR1H4 (0.38) NR1H4MAPTHSD17B10TSHRSMN1; SMN2
SCHEMBL2913231 0.86 MAPT (0.34) NR1H4MAPTHSD17B10TSHRSMN1; SMN2
SCHEMBL2907827 0.86 LMNA (0.46) NR1H4MAPTHSD17B10TSHRSMN1; SMN2
SCHEMBL2907824 0.85 MAPT (0.39) NR1H4MAPTHSD17B10TSHRSMN1; SMN2

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