SCHEMBL5548541

SCHEMBL5548541

O=C(NC1N=CC2=CN(S(=O)(=O)c3cccc(Br)c3)CCC2=N1)c1cccc(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.37
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FLT1 P17948 2/20 0.36
FLT4 P35916 2/20 0.36
KDR P35968 2/20 0.36
MAPT P10636 2/20 0.35
THRB P10828 2/20 0.35
MEN1 O00255 1/20 0.35
TNF P01375 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
NOD2 Q9HC29 1/20 0.35
NOD1 Q9Y239 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HTT P42858 1/20 0.35
GRM5 P41594 1/20 0.35
UBE2M P61081 1/20 0.35
DCUN1D1 Q96GG9 1/20 0.35

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
SCHEMBL5548545 0.75 SIRT2 (0.42) SIRT2KMT2AMAPTTHRBMEN1
SCHEMBL5547993 0.71 GRM5 (0.41) L3MBTL1MAPTTHRBGRM5
SCHEMBL3527818 0.62 PPARG (0.49) SIRT2KMT2AMAPTMEN1HTT
SCHEMBL28975696 0.57 L3MBTL1 (0.88) KMT2AL3MBTL1MEN1NPC1RAB9A
SCHEMBL6682650 0.56 CHRNA7 (0.62) L3MBTL1NPC1RAB9AGRM5
SCHEMBL9353671 0.56 PARP1 (0.55) KMT2AL3MBTL1FLT1FLT4KDR
SCHEMBL15326419 0.56 L3MBTL1 (1.00) L3MBTL1NPC1RAB9AGRM5
SCHEMBL6674303 0.55 KDM4E (0.62) KMT2AL3MBTL1FLT1FLT4KDR
SCHEMBL3212175 0.55 KMT2A (0.65) KMT2AL3MBTL1MEN1NPC1RAB9A
SCHEMBL29818035 0.55 KMT2A (0.65) KMT2AL3MBTL1MEN1NPC1RAB9A

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