SCHEMBL478603

SCHEMBL478603

COc1c(C#Cc2ccc(NS(C)(=O)=O)cc2)cc(-n2c(=O)cc[nH]c2=O)cc1C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.42
CYP3A4 P08684 3/20 0.41
ALDH2 P05091 2/20 0.34
BRD4 O60885 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
SCHEMBL2913314 0.90 CRBN (0.42) CRBNCYP3A4BRD4
SCHEMBL3105519 0.89 CRBN (0.42) CRBNCYP3A4BRD4
SCHEMBL2909603 0.89 CRBN (0.42) CRBNCYP3A4BRD4
SCHEMBL2907207 0.87 CRBN (0.39) CRBNCYP3A4BRD4
SCHEMBL2907834 0.87 CRBN (0.35) CRBNCYP3A4
SCHEMBL2910784 0.87 CRBN (0.41) CRBNCYP3A4
SCHEMBL2913952 0.85 CRBN (0.40) CRBNCYP3A4
SCHEMBL2915298 0.83 CRBN (0.56) CRBNCYP3A4ALDH2
SCHEMBL2907830 0.82 CRBN (0.34) CRBNCYP3A4
SCHEMBL2915640 0.82 CRBN (0.34) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411372-A1 PROCESS FOR PREPARING ANTIVIRAL COMPOUND Abbott Laboratories (US) 2012-02-01 EP claimed
WO-2010111348-A1 PROCESS FOR PREPARING ANTIVIRAL COMPOUND ABBOTT LABORATORIES (US) 2010-09-30 WO claimed
EP-2411372-A1 PROCESS FOR PREPARING ANTIVIRAL COMPOUND Abbott Laboratories (US) 2012-02-01 EP disclosed
WO-2010111348-A1 PROCESS FOR PREPARING ANTIVIRAL COMPOUND ABBOTT LABORATORIES (US) 2010-09-30 WO disclosed