SCHEMBL14919092

SCHEMBL14919092

COc1ccc(NC(=O)CCCc2noc(C(F)(F)F)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.55
MAPT P10636 6/20 0.55
KMT2A Q03164 5/20 0.55
MEN1 O00255 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
TP53 P04637 2/20 0.55
HDAC1 Q13547 3/20 0.51
HDAC8 Q9BY41 3/20 0.51
HDAC3 O15379 2/20 0.51
HDAC4 P56524 2/20 0.51
HDAC7 Q8WUI4 2/20 0.51
HDAC2 Q92769 2/20 0.51
HDAC10 Q969S8 2/20 0.51
HDAC11 Q96DB2 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
HDAC9 Q9UKV0 2/20 0.51
HDAC5 Q9UQL6 2/20 0.51
ALDH1A1 P00352 2/20 0.47
HTT P42858 2/20 0.47
THRB P10828 1/20 0.46

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
SCHEMBL14919184 0.97 L3MBTL1 (0.57) L3MBTL1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL14918545 0.96 L3MBTL1 (0.56) L3MBTL1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL14918539 0.96 L3MBTL1 (0.56) L3MBTL1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL14918439 0.96 L3MBTL1 (0.56) L3MBTL1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL14918925 0.93 MAPT (0.59) L3MBTL1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL14918382 0.88 MAPT (0.54) L3MBTL1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL14918878 0.86 HDAC6 (0.48) L3MBTL1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL14918418 0.85 RAB9A (0.46) L3MBTL1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL14918887 0.85 MAPT (0.53) L3MBTL1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL14917853 0.84 MAPT (0.53) L3MBTL1MAPTKMT2AMEN1SMN1; SMN2

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-2013066836-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2013-05-10 WO claimed
WO-2013066836-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2013-05-10 WO disclosed