SCHEMBL28107141

SCHEMBL28107141

CC(=O)c1c(Br)cccc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
THRB P10828 1/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.41
NOTUM Q6P988 3/20 0.40
TAS2R14 Q9NYV8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
HSD11B1 P28845 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37

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
SCHEMBL1995318 0.90 THRB (0.48) THRBLMNAGAANOTUMTAS2R14
SCHEMBL3374645 0.83 TAS2R14 (0.46) SMN1; SMN2LMNAGAATAS2R14L3MBTL1
SCHEMBL11846322 0.80 THRB (0.54) SMN1; SMN2THRBLMNAGAAMAOB
SCHEMBL23364641 0.79 THRB (0.42) THRBLMNAGAANOTUMTAS2R14
SCHEMBL29932939 0.79 THRB (0.42) THRBLMNAGAANOTUMTAS2R14
SCHEMBL30313345 0.79 CES2 (0.48) THRBNOTUMMAOAMAOBRORC
SCHEMBL13519060 0.79 THRB (0.63) THRBLMNAGAANOTUMMAOA
SCHEMBL716995 0.79 CES2 (0.48) THRBNOTUMMAOAMAOBRORC
SCHEMBL29932942 0.78 TYK2 (0.54) SMN1; SMN2THRBTYK2RORC
SCHEMBL9525419 0.78 TYK2 (0.54) SMN1; SMN2THRBTYK2RORC

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
CN-103936819-B Hepatitis c virus inhibitors 百时美施贵宝公司 2016-11-16 CN disclosed