SCHEMBL8002018

SCHEMBL8002018

Nc1ccc(Nc2nc(-c3cccc(NC(=O)Cn4nc(C(F)(F)F)c5c4CCCC5)c3)cs2)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.59
TP53 P04637 4/20 0.59
LMNA P02545 4/20 0.59
SMN1; SMN2 Q16637 2/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
THRB P10828 2/20 0.54
HTT P42858 1/20 0.53
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C19 P33261 1/20 0.52
POLB P06746 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
SCHEMBL1008466 0.92 MAPT (0.59) MAPTTP53LMNASMN1; SMN2MEN1
SCHEMBL1009834 0.85 MAPT (0.65) MAPTTP53LMNASMN1; SMN2MEN1
SCHEMBL8004881 0.80 MAPT (0.78) MAPTTP53LMNASMN1; SMN2MEN1
SCHEMBL1007724 0.80 MAPT (0.77) MAPTTP53LMNASMN1; SMN2MEN1
SCHEMBL1008552 0.77 MAPT (0.80) MAPTTP53LMNASMN1; SMN2MEN1
SCHEMBL1008510 0.77 MAPT (0.64) MAPTTP53LMNASMN1; SMN2MEN1
SCHEMBL1895472 0.75 MAPT (0.75) MAPTTP53LMNASMN1; SMN2MEN1
SCHEMBL1008056 0.75 MAPT (1.00) MAPTTP53LMNASMN1; SMN2MEN1
SCHEMBL1010068 0.74 MAPT (0.65) MAPTTP53LMNASMN1; SMN2MEN1
SCHEMBL1893298 0.74 MAPT (0.67) MAPTTP53LMNASMN1; SMN2MEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009119088-A1 HETEROCYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2009-10-01 WO disclosed