SCHEMBL2909912

SCHEMBL2909912

COc1cc(NS(C)(=O)=O)ccc1C(=O)Nc1cc(-n2c(=O)cc[nH]c2=O)cc(C(C)(C)C)c1OC

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPK1 P28482 1/20 0.40
CYP3A4 P08684 3/20 0.36
MAPK14 Q16539 7/20 0.36
S1PR1 P21453 1/20 0.35
HTT P42858 1/20 0.35
NR1H4 Q96RI1 2/20 0.35
F10 P00742 1/20 0.34
SRC P12931 5/20 0.34
SYK P43405 5/20 0.34
GSK3A P49840 5/20 0.34
LCK P06239 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
SCHEMBL2913914 0.85 CRBN (0.42) CRBNALDH1A1MEN1KMT2AMAPK1
SCHEMBL1530802 0.83 CRBN (0.61) CRBNALDH1A1MEN1KMT2AMAPK1
SCHEMBL1530743 0.81 CRBN (0.40) CRBNALDH1A1MEN1KMT2AMAPK1
SCHEMBL2916517 0.81 MEN1 (0.41) CRBNALDH1A1MEN1KMT2AMAPK1
SCHEMBL2913952 0.78 CRBN (0.40) CRBNALDH1A1MEN1KMT2AMAPK1
SCHEMBL2915298 0.78 CRBN (0.56) CRBNALDH1A1CYP3A4
SCHEMBL2907652 0.78 CYP3A4 (0.46) CRBNCYP3A4NR1H4GSK3A
SCHEMBL3763864 0.78 CYP3A4 (0.46) CRBNALDH1A1MEN1KMT2ACYP3A4
SCHEMBL2910784 0.78 CRBN (0.41) CRBNCYP3A4GSK3A
Methyl Alcohol SCHEMBL2913736 0.77 CRBN (0.67) CRBNCYP3A4

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