SCHEMBL2912470

SCHEMBL2912470

COc1c(-c2ccc3cc(NS(C)(=O)=O)ccc3c2)cc(-n2c(=O)cc[nH]c2=O)cc1C(C)(C)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.57
IKBKB O14920 1/20 0.35
CHUK O15111 1/20 0.35
CYP3A4 P08684 3/20 0.34
MTOR P42345 2/20 0.33
BRPF1 P55201 1/20 0.32
BRD4 O60885 6/20 0.32
FABP4 P15090 1/20 0.31
FABP5 Q01469 1/20 0.31
NR3C1 P04150 1/20 0.31
AR P10275 1/20 0.31
EGFR P00533 1/20 0.31
TEC P42680 1/20 0.31
BLK P51451 1/20 0.31
BMX P51813 1/20 0.31
JAK3 P52333 1/20 0.31
BTK Q06187 1/20 0.31
ITK Q08881 1/20 0.31
PIP4K2A P48426 2/20 0.31
PIP4K2B P78356 2/20 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
SCHEMBL2915262 0.94 CRBN (0.57) CRBNIKBKBCHUKCYP3A4MTOR
Methyl Alcohol SCHEMBL2913736 0.91 CRBN (0.67) CRBNIKBKBCHUKCYP3A4MTOR
SCHEMBL2913931 0.91 CRBN (0.69) CRBNIKBKBCHUKCYP3A4BRPF1
Water SCHEMBL2915433 0.90 CRBN (0.68) CRBNIKBKBCHUKCYP3A4BRPF1
SCHEMBL2324103 0.89 CRBN (0.57) CRBNIKBKBCHUKCYP3A4BRPF1
Isopropyl Alcohol SCHEMBL2910113 0.89 CRBN (0.64) CRBNIKBKBCHUKCYP3A4MTOR
Alcohol SCHEMBL2909873 0.89 CRBN (0.64) CRBNIKBKBCHUKCYP3A4BRPF1
SCHEMBL2915248 0.88 CRBN (0.58) CRBNIKBKBCHUKCYP3A4MTOR
SCHEMBL2913565 0.88 CRBN (0.58) CRBNIKBKBCHUKCYP3A4MTOR
SCHEMBL2914822 0.88 CRBN (0.58) CRBNIKBKBCHUKCYP3A4BRPF1

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