SCHEMBL1509384

SCHEMBL1509384

CCCOc1ccc(-c2cc(CC(=O)NCCOCCOCCOCCO)on2)c(C(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.37
NCF1 P14598 1/20 0.35
PTGES O14684 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.33
LMNA P02545 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HTT P42858 2/20 0.33
PDK2 Q15119 2/20 0.33
POLB P06746 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
MAPT P10636 2/20 0.33
TP53 P04637 1/20 0.33
MTNR1A P48039 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ACACB O00763 1/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
TSHR P16473 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL1509402 1.00 ALK (0.37) ALKNCF1PTGESSMN1; SMN2LMNA
SCHEMBL1509405 0.99 ALK (0.37) ALKNCF1PTGESSMN1; SMN2LMNA
SCHEMBL1509422 0.90 SMN1; SMN2 (0.37) SMN1; SMN2LMNAALDH1A1HTTPDK2
SCHEMBL1509440 0.89 HDAC4 (0.41) PTGESSMN1; SMN2LMNAALDH1A1HTT
SCHEMBL1509420 0.88 SMN1; SMN2 (0.36) SMN1; SMN2LMNAALDH1A1HTTPDK2
SCHEMBL1509457 0.85 PDK2 (0.38) SMN1; SMN2ALDH1A1PDK2HDAC4MAPT
SCHEMBL1509398 0.83 VHL (0.46) PTGESSMN1; SMN2ALDH1A1PDK2HDAC4
SCHEMBL1436664 0.82 MAPT (0.43) PTGESSMN1; SMN2LMNAALDH1A1PDK2
SCHEMBL1437847 0.80 PDK2 (0.41) LMNAALDH1A1PDK2MAPTKDM4E
SCHEMBL1509418 0.78 THRA (0.36) PTGESSMN1; SMN2ALDH1A1PDK2MAPT

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-2011026024-A2 IMIDAZO [4,5-D] PYRIDAZINE COMPOUNDS FOR TREATING VIRAL INFECTIONS GLAXOSMITHKLINE LLC (US) 2011-03-03 WO claimed
WO-2011026024-A2 IMIDAZO [4,5-D] PYRIDAZINE COMPOUNDS FOR TREATING VIRAL INFECTIONS GLAXOSMITHKLINE LLC (US) 2011-03-03 WO disclosed