SCHEMBL2915236

SCHEMBL2915236

COc1c(-c2ccc(NC(=O)NS(C)(=O)=O)cc2)cc(-n2c(=O)cc[nH]c2=O)cc1C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.46
CYP3A4 P08684 3/20 0.36
FPR1 P21462 1/20 0.31
FPR2 P25090 1/20 0.31
EGFR P00533 1/20 0.30
PRKAB2 O43741 1/20 0.30
PRKAG1 P54619 1/20 0.30
PRKAA2 P54646 1/20 0.30
PRKAA1 Q13131 1/20 0.30
PRKAG3 Q9UGI9 1/20 0.30
PRKAG2 Q9UGJ0 1/20 0.30
PRKAB1 Q9Y478 1/20 0.30
IDO1 P14902 1/20 0.30
ROCK2 O75116 1/20 0.30
KDR P35968 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
SCHEMBL2915298 0.87 CRBN (0.56) CRBNCYP3A4
Methyl Alcohol SCHEMBL2913736 0.82 CRBN (0.67) CRBNCYP3A4
SCHEMBL1530876 0.82 CRBN (0.69) CRBNCYP3A4FPR1FPR2EGFR
SCHEMBL2913931 0.82 CRBN (0.69) CRBNCYP3A4
Alcohol SCHEMBL2909873 0.82 CRBN (0.64) CRBNCYP3A4
Water SCHEMBL2915433 0.81 CRBN (0.68) CRBNCYP3A4
SCHEMBL2913574 0.81 RARB (0.39) CRBN
Propanol SCHEMBL2911013 0.80 CRBN (0.62) CRBNCYP3A4
Isopropyl Alcohol SCHEMBL2910113 0.80 CRBN (0.64) CRBNCYP3A4
SCHEMBL2910151 0.80 CRBN (0.43) 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