SCHEMBL17378945

SCHEMBL17378945

COc1c(C(C)(C)C)cc(N2CCC(=O)NC2=O)c(F)c1/C=C(\C)c1ccc(NS(C)(=O)=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.36
CRBN Q96SW2 3/20 0.36
AURKB Q96GD4 1/20 0.34
WDR5 P61964 1/20 0.33
DDB1 Q16531 2/20 0.30
RARA P10276 1/20 0.30
RARB P10826 1/20 0.30
RARG P13631 1/20 0.30
EPHX2 P34913 1/20 0.30
ADRB1 P08588 1/20 0.30
HPGD P15428 1/20 0.30
RECQL P46063 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL17378859 0.92 CRBN (0.38) CYP3A4CRBNAURKBWDR5DDB1
SCHEMBL17375008 0.86 CYP3A4 (0.47) CYP3A4CRBNAURKBDDB1
SCHEMBL1530629 0.84 CYP3A4 (0.40) CYP3A4CRBNAURKBWDR5DDB1
SCHEMBL1530628 0.84 CYP3A4 (0.40) CYP3A4CRBNAURKBWDR5DDB1
SCHEMBL1530625 0.84 CYP3A4 (0.40) CYP3A4CRBNAURKBWDR5DDB1
SCHEMBL17378791 0.81 CRBN (0.36) CYP3A4CRBNDDB1
SCHEMBL1530475 0.79 CYP3A4 (0.40) CYP3A4CRBNAURKBWDR5DDB1
SCHEMBL1530502 0.79 CYP3A4 (0.40) CYP3A4CRBNAURKBWDR5DDB1
SCHEMBL1530479 0.79 CYP3A4 (0.40) CYP3A4CRBNAURKBWDR5DDB1
SCHEMBL17375035 0.79 CRBN (0.50) CYP3A4CRBNAURKBDDB1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015197028-A1 COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS AND USES THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-12-30 WO disclosed