SCHEMBL17375014

SCHEMBL17375014

COC(=O)c1c(F)c([N+](=O)[O-])cc(Br)c1OC

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
POLB P06746 2/20 0.47
TPMT P51580 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
VCAM1 P19320 1/20 0.37
ABCB1 P08183 1/20 0.36
ABCC1 P33527 1/20 0.36

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
SCHEMBL31451704 1.00 MAPT (0.49) MAPTL3MBTL1SMN1; SMN2POLBTPMT
SCHEMBL31451909 0.84 MAPT (0.39) MAPTL3MBTL1SMN1; SMN2POLBKMT2A
SCHEMBL17375039 0.84 MAPT (0.39) MAPTL3MBTL1SMN1; SMN2POLBKMT2A
SCHEMBL31451828 0.84 SMN1; SMN2 (0.49) MAPTSMN1; SMN2POLBTPMTKMT2A
SCHEMBL1068541 0.84 MAPT (0.50) MAPTL3MBTL1SMN1; SMN2POLBTPMT
SCHEMBL17378861 0.81 ALDH1A1 (0.53) L3MBTL1SMN1; SMN2TPMTKMT2AMEN1
SCHEMBL17045501 0.81 GRIN2D (0.47) MAPTL3MBTL1POLBTPMTKMT2A
SCHEMBL1868433 0.80 ALDH1A1 (0.41) MAPTL3MBTL1SMN1; SMN2POLBKMT2A
SCHEMBL31381636 0.79 CYP1A2 (0.41) MAPTL3MBTL1SMN1; SMN2POLBKMT2A
SCHEMBL13277488 0.79 CYP1A2 (0.41) MAPTL3MBTL1SMN1; SMN2POLBKMT2A

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