SCHEMBL2910084

SCHEMBL2910084

COc1c(-c2ccc3cc(NS(C)(=O)=O)ccc3c2)cc(-n2c(=O)cc[nH]c2=O)cc1-c1ccco1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.48
GHSR Q92847 2/20 0.34
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
TP53 P04637 1/20 0.33
IKBKB O14920 1/20 0.33
CHUK O15111 1/20 0.33
SCN9A Q15858 1/20 0.32
CYP3A4 P08684 3/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL2914093 0.88 CRBN (0.52) CRBNBRD4JAK2JAK1TYK2
SCHEMBL2912947 0.87 CRBN (0.48) CRBNGHSRBRD4JAK2JAK1
SCHEMBL2910644 0.87 CRBN (0.49) CRBNGHSRBRD4JAK2JAK1
SCHEMBL2913138 0.85 CRBN (0.53) CRBNBRD4JAK2JAK1TYK2
SCHEMBL2913845 0.85 CRBN (0.49) CRBNBRD4JAK2JAK1TYK2
SCHEMBL2913874 0.85 CRBN (0.54) CRBNBRD4JAK2JAK1TYK2
SCHEMBL2911158 0.85 CRBN (0.52) CRBNBRD4JAK2JAK1TYK2
SCHEMBL2915591 0.85 CRBN (0.52) CRBNBRD4JAK2JAK1TYK2
SCHEMBL2913210 0.84 CRBN (0.48) CRBNGHSRBRD4JAK2JAK1
SCHEMBL2915237 0.83 CRBN (0.49) CRBNGHSRBRD4JAK2JAK1

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