SCHEMBL14918950

SCHEMBL14918950

COc1cccc(NC(=O)CCc2noc(C(F)(F)F)n2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
GAA P10253 3/20 0.56
HTT P42858 3/20 0.56
RAB9A P51151 1/20 0.56
POLB P06746 3/20 0.54
LMNA P02545 2/20 0.52
GLA P06280 1/20 0.52
HDAC1 Q13547 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
MTNR1B P49286 1/20 0.50
ALOX15 P16050 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PKM P14618 1/20 0.48
MEN1 O00255 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 1/20 0.48
THRB P10828 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL14918382 0.94 MAPT (0.54) MAPTSMN1; SMN2GAAHTTRAB9A
SCHEMBL14918887 0.93 MAPT (0.53) MAPTSMN1; SMN2GAAHTTRAB9A
SCHEMBL14918725 0.92 MAPT (0.52) MAPTSMN1; SMN2GAAHTTRAB9A
SCHEMBL14918847 0.92 MAPT (0.52) MAPTSMN1; SMN2GAAHTTRAB9A
SCHEMBL14918935 0.92 MAPT (0.52) MAPTSMN1; SMN2GAAHTTRAB9A
SCHEMBL14918925 0.87 MAPT (0.59) MAPTSMN1; SMN2HTTRAB9ALMNA
SCHEMBL14918927 0.86 MAPT (0.52) MAPTSMN1; SMN2GAAHTTRAB9A
SCHEMBL14918924 0.82 HDAC1 (0.48) MAPTSMN1; SMN2GAAHTTRAB9A
SCHEMBL14918404 0.82 HDAC6 (0.56) MAPTSMN1; SMN2GAALMNAGLA
SCHEMBL14919092 0.81 L3MBTL1 (0.55) MAPTSMN1; SMN2HTTRAB9ALMNA

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