SCHEMBL6863588

SCHEMBL6863588

CS(=O)(=O)c1cccc(NC(=O)Cn2nc(C(F)(F)F)c3c2OCCC3)c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.55
TP53 P04637 5/20 0.54
LMNA P02545 4/20 0.54
SMN1; SMN2 Q16637 2/20 0.50
HTT P42858 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
THRB P10828 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
ATM Q13315 1/20 0.44

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
SCHEMBL8006492 0.85 MAPT (0.73) MAPTTP53LMNASMN1; SMN2HTT
SCHEMBL6862518 0.74 TP53 (0.76) MAPTTP53LMNASMN1; SMN2MEN1
SCHEMBL6861396 0.73 MAPT (0.54) MAPTTP53LMNASMN1; SMN2MEN1
SCHEMBL15491619 0.73 LMNA (0.48) MAPTTP53LMNASMN1; SMN2HTT
SCHEMBL15485025 0.72 LMNA (0.63) MAPTTP53LMNASMN1; SMN2HTT
SCHEMBL1895472 0.70 MAPT (0.75) MAPTTP53LMNASMN1; SMN2HTT
SCHEMBL1006193 0.70 MAPT (0.80) MAPTTP53LMNASMN1; SMN2HTT
SCHEMBL8004881 0.70 MAPT (0.78) MAPTTP53LMNASMN1; SMN2HTT
SCHEMBL1008056 0.70 MAPT (1.00) MAPTTP53LMNASMN1; SMN2HTT
SCHEMBL1006242 0.70 MAPT (0.74) MAPTTP53LMNASMN1; SMN2HTT

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-2011036889-A1 HETEROCYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2011-03-31 WO disclosed