SCHEMBL14918935

SCHEMBL14918935

COc1cccc(NC(=O)CCCCCc2noc(C(F)(F)F)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
GAA P10253 3/20 0.51
HTT P42858 2/20 0.51
LMNA P02545 2/20 0.49
MAPK1 P28482 1/20 0.49
RAB9A P51151 1/20 0.49
POLB P06746 2/20 0.49
HDAC1 Q13547 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
MEN1 O00255 1/20 0.47

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
SCHEMBL14918725 1.00 MAPT (0.52) MAPTSMN1; SMN2GAAHTTLMNA
SCHEMBL14918847 1.00 MAPT (0.52) MAPTSMN1; SMN2GAAHTTLMNA
SCHEMBL14918887 0.99 MAPT (0.53) MAPTSMN1; SMN2GAAHTTLMNA
SCHEMBL14918382 0.96 MAPT (0.54) MAPTSMN1; SMN2GAAHTTLMNA
SCHEMBL14918950 0.92 MAPT (0.58) MAPTSMN1; SMN2GAAHTTLMNA
SCHEMBL14918545 0.88 L3MBTL1 (0.56) MAPTSMN1; SMN2HTTLMNAHDAC1
SCHEMBL14918439 0.88 L3MBTL1 (0.56) MAPTSMN1; SMN2HTTLMNAHDAC1
SCHEMBL14918539 0.88 L3MBTL1 (0.56) MAPTSMN1; SMN2HTTLMNAHDAC1
SCHEMBL14918838 0.87 HDAC1 (0.55) MAPTHTTMAPK1RAB9APOLB
SCHEMBL14918736 0.87 HDAC1 (0.55) MAPTHTTMAPK1RAB9APOLB

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