SCHEMBL2912947

SCHEMBL2912947

COc1c(-c2ccc3cc(NS(C)(=O)=O)ccc3c2)cc(-n2c(=O)cc[nH]c2=O)cc1-c1ccc(C)o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.48
TP53 P04637 1/20 0.36
BRD4 O60885 5/20 0.34
JAK2 O60674 2/20 0.33
JAK1 P23458 2/20 0.33
TYK2 P29597 2/20 0.33
JAK3 P52333 2/20 0.33
BRPF1 P55201 1/20 0.33
IKBKB O14920 1/20 0.33
CHUK O15111 1/20 0.33
GHSR Q92847 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL2910084 0.87 CRBN (0.48) CRBNTP53BRD4JAK2JAK1
SCHEMBL2914093 0.86 CRBN (0.52) CRBNBRD4JAK2JAK1TYK2
SCHEMBL2913138 0.85 CRBN (0.53) CRBNTP53BRD4JAK2JAK1
SCHEMBL2910644 0.85 CRBN (0.49) CRBNTP53BRD4JAK2JAK1
SCHEMBL2913874 0.85 CRBN (0.54) CRBNTP53BRD4JAK2JAK1
SCHEMBL2915591 0.85 CRBN (0.52) CRBNTP53BRD4JAK2JAK1
SCHEMBL2911158 0.85 CRBN (0.52) CRBNTP53BRD4JAK2JAK1
SCHEMBL2913210 0.84 CRBN (0.48) CRBNBRD4JAK2JAK1TYK2
SCHEMBL2320071 0.84 CRBN (0.48) CRBNTP53BRD4JAK2JAK1
SCHEMBL2913845 0.83 CRBN (0.49) CRBNBRD4JAK2JAK1TYK2

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 4 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
EP-2203431-A1 ANTI-INFECTIVE PYRIMIDINES AND USES THEREOF Abbott Laboratories (US) 2010-07-07 EP disclosed
WO-2009039127-A1 URACIL OR THYMINE DERIVATIVE FOR TREATING HEPATITIS C ABBOTT LABORATORIES (US) 2009-03-26 WO disclosed
WO-2009039134-A1 ANTI-INFECTIVE PYRIMIDINES AND USES THEREOF ABBOTT LABORATORIES (US) 2009-03-26 WO disclosed