SCHEMBL1509397

SCHEMBL1509397

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.37
MAPK10 P53779 1/20 0.37
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
SCN9A Q15858 1/20 0.36
ACACB O00763 1/20 0.35
PDK2 Q15119 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PPARG P37231 2/20 0.35
PPARA Q07869 2/20 0.35
PTGES O14684 2/20 0.35
ALOX5 P09917 1/20 0.35
PPARD Q03181 1/20 0.34
S1PR1 P21453 1/20 0.34

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
SCHEMBL1509456 0.90 MAPK8 (0.38) MAPK8MAPK10MAPTTP53SMN1; SMN2
SCHEMBL1509419 0.87 AKR1C3 (0.37) MAPK8MAPK10MAPTTP53SMN1; SMN2
SCHEMBL1509421 0.86 ACACB (0.37) MAPK8MAPK10MAPTTP53SMN1; SMN2
SCHEMBL1436505 0.85 PPARG (0.42) MAPTTP53SMN1; SMN2THRATHRB
SCHEMBL1509439 0.85 PTGES (0.41) MAPK8MAPK10MAPTTP53SMN1; SMN2
SCHEMBL1509213 0.83 PPARG (0.39) MAPTTP53SMN1; SMN2THRATHRB
SCHEMBL1436617 0.82 AKR1C3 (0.44) MAPTTP53SMN1; SMN2THRATHRB
SCHEMBL1509404 0.82 ACACB (0.34) MAPK8MAPK10MAPTTP53SMN1; SMN2
SCHEMBL1436359 0.81 PPARG (0.37) MAPK8MAPK10MAPTTP53SMN1; SMN2
SCHEMBL1436724 0.81 PPARG (0.41) MAPTTP53SMN1; SMN2THRATHRB

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