SCHEMBL2914859

SCHEMBL2914859

COc1c(C(=O)Cc2ccc(NS(C)(=O)=O)cc2)cc(N2C(=O)CCNC2=O)cc1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.40
CRBN Q96SW2 1/20 0.38
NR1H4 Q96RI1 3/20 0.36
ADRB1 P08588 1/20 0.33
EPHX2 P34913 1/20 0.33
ABCB1 P08183 1/20 0.33
CYP26A1 O43174 1/20 0.33

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
SCHEMBL2915218 0.85 CYP3A4 (0.40) CYP3A4CRBNNR1H4ADRB1EPHX2
SCHEMBL2916163 0.85 CRBN (0.38) CYP3A4CRBNADRB1
SCHEMBL2113416 0.84 CYP3A4 (0.56) CYP3A4CRBNADRB1ABCB1
SCHEMBL2915057 0.82 CRBN (0.39) CYP3A4CRBN
SCHEMBL1530670 0.82 CYP3A4 (0.40) CYP3A4CRBNNR1H4ADRB1ABCB1
SCHEMBL2910598 0.81 NR1H4 (0.56) NR1H4CYP26A1
SCHEMBL2907766 0.81 KMT2A (0.41) CYP3A4CRBNNR1H4
SCHEMBL2915217 0.81 CYP3A4 (0.42) CYP3A4CRBNADRB1ABCB1
SCHEMBL2915689 0.81 F10 (0.39) CYP3A4CRBN
SCHEMBL2915916 0.81 CRBN (0.39) CYP3A4CRBNNR1H4ADRB1EPHX2

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