SCHEMBL3102170

SCHEMBL3102170

COc1c(-c2ccc3c(CNS(C)(=O)=O)coc3c2)cc(-n2c(=O)cc[nH]c2=O)cc1C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.42
CYP3A4 P08684 3/20 0.34
MTNR1A P48039 1/20 0.33
ALDH2 P05091 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HPGD P15428 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL1530313 0.84 CRBN (0.61) CRBNCYP3A4MTNR1AHPGDKDM4E
SCHEMBL2910151 0.80 CRBN (0.43) CRBNCYP3A4
SCHEMBL2915298 0.79 CRBN (0.56) CRBNCYP3A4ALDH2HPGDKDM4E
SCHEMBL2913931 0.77 CRBN (0.69) CRBNCYP3A4
Water SCHEMBL2915433 0.76 CRBN (0.68) CRBNCYP3A4
Methyl Alcohol SCHEMBL2913736 0.76 CRBN (0.67) CRBNCYP3A4
Alcohol SCHEMBL2909873 0.75 CRBN (0.64) CRBNCYP3A4
SCHEMBL2913195 0.75 CA2 (0.31)
SCHEMBL2915236 0.74 CRBN (0.46) CRBNCYP3A4
SCHEMBL2907863 0.74 CRBN (0.42) CRBNCYP3A4HPGD

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