SCHEMBL17375035

SCHEMBL17375035

COc1c(C(C)(C)C)cc(N2CCC(=O)NC2=O)c(F)c1-c1ccc2cc(NS(C)(=O)=O)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 2/20 0.50
CYP3A4 P08684 3/20 0.35
BRPF1 P55201 1/20 0.33
ROCK2 O75116 2/20 0.32
HTR7 P34969 1/20 0.32
HTR6 P50406 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
NR3C1 P04150 1/20 0.31
AR P10275 1/20 0.31
TDP2 O95551 1/20 0.31
NR3C2 P08235 1/20 0.31
TP53 P04637 1/20 0.31
AURKB Q96GD4 1/20 0.31
KIF11 P52732 1/20 0.31
ABCB1 P08183 1/20 0.30
PTGS2 P35354 1/20 0.30
DDB1 Q16531 1/20 0.30
ABL1 P00519 1/20 0.30
MTOR P42345 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
SCHEMBL17374986 0.91 CRBN (0.49) CRBNCYP3A4BRPF1ROCK2HTR7
SCHEMBL17375018 0.90 CRBN (0.48) CRBNCYP3A4BRPF1ROCK2HTR7
SCHEMBL17378918 0.88 CRBN (0.46) CRBNCYP3A4BRPF1ROCK2HTR7
SCHEMBL17378786 0.88 CRBN (0.46) CRBNCYP3A4BRPF1HTR7HTR6
SCHEMBL1530799 0.84 CRBN (0.65) CRBNCYP3A4BRPF1ROCK2HTR7
SCHEMBL17378871 0.83 CRBN (0.39) CRBNCYP3A4ROCK2HTR7HTR6
SCHEMBL17378872 0.83 CRBN (0.37) CRBNCYP3A4ROCK2HTR7HTR6
SCHEMBL17378895 0.83 TP53 (0.37) CRBNTP53
SCHEMBL17375008 0.81 CYP3A4 (0.47) CRBNCYP3A4HTR7HTR6TDP2
SCHEMBL29836095 0.80 CRBN (0.69) CRBNCYP3A4BRPF1NR3C1AR

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
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
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