SCHEMBL5546875

SCHEMBL5546875

O=C(NC1=NCC2=CN(S(=O)(=O)c3ccccc3C(F)(F)F)CCC2=N1)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
KMT2A Q03164 4/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KCNH2 Q12809 1/20 0.36
ITGB1 P05556 1/20 0.35
ITGA4 P13612 1/20 0.35
CNR2 P34972 1/20 0.35
LMNA P02545 2/20 0.35
CNR1 P21554 1/20 0.35
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HCRTR1 O43613 1/20 0.34
BCAT1 P54687 1/20 0.34
HTT P42858 1/20 0.33
KCNJ11 Q14654 1/20 0.33
SFRP1 Q8N474 1/20 0.33

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
SCHEMBL5548490 0.92 MAPT (0.39) MAPTKMT2AMEN1ALDH1A1CNR2
SCHEMBL5546893 0.79 MAPT (0.40) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL5540355 0.77 CA1 (0.39) MAPTKMT2AALDH1A1LMNATP53
SCHEMBL5545098 0.75 MAPT (0.38) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL5546872 0.75 KMT2A (0.37) MAPTKMT2AMEN1ALDH1A1KCNH2
SCHEMBL5548545 0.73 SIRT2 (0.42) MAPTKMT2AMEN1LMNATP53
SCHEMBL5543044 0.72 MGLL (0.38) KMT2AMEN1SMN1; SMN2HTT
SCHEMBL5546201 0.72 ABL1 (0.40) KMT2AMEN1LMNASMN1; SMN2HTT
SCHEMBL5540369 0.71 CPT2 (0.40) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL5540316 0.70 MAPT (0.39) MAPTALDH1A1LMNATP53POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007534719-A 2007-11-29 JP claimed
EP-1742925-A1 SUBSTITUTED 5, 6, 7, 8-TETRAHYDRO-PYRIDO[4, 3-D]PYRIMIDINE-2-YL COMPOUNDS AND 5, 6, 7, 8-TETRAHYDRO-QUINAZOLINE-2-YL COMPOUNDS Grünenthal GmbH (DE) 2007-01-17 EP claimed
WO-2005105759-A1 SUBSTITUTED 5, 6, 7, 8-TETRAHYDRO-PYRIDO[4, 3-D]PYRIMIDINE-2-YL COMPOUNDS AND 5, 6, 7, 8-TETRAHYDRO-QUINAZOLINE-2-YL COMPOUNDS Grünenthal GmbH (DE) 2005-11-10 WO claimed