SCHEMBL5548468

SCHEMBL5548468

O=C(NC1=NCC2=CN(S(=O)(=O)c3ccc(F)cc3)CC(Cl)C2=N1)c1cccc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
MAPT P10636 4/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
IDO1 P14902 5/20 0.39
GRM5 P41594 2/20 0.38
MEN1 O00255 2/20 0.38
TNF P01375 1/20 0.38
THRB P10828 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
NOD2 Q9HC29 1/20 0.38
NOD1 Q9Y239 1/20 0.38
TDP2 O95551 1/20 0.37
TP53 P04637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FLT1 P17948 1/20 0.36
FLT4 P35916 1/20 0.36
KDR P35968 1/20 0.36

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 0.70 SIRT2 (0.42) KMT2AMAPTLMNAMEN1TNF
SCHEMBL5546835 0.66 FLT1 (0.44) KMT2AMAPTMEN1TP53FLT1
SCHEMBL5546854 0.63 CYP2C19 (0.40) KMT2AMAPTLMNAGAAHTT
SCHEMBL5544896 0.63 MEN1 (0.46) KMT2AMAPTGAAMEN1
SCHEMBL5546600 0.61 KMT2A (0.40) KMT2AMAPTLMNAHTTMEN1
SCHEMBL15276830 0.57 LMNA (0.61) KMT2AMAPTLMNAGAAHTT
SCHEMBL20910377 0.57 PTGS2 (0.58) KMT2AMAPTLMNAGAAIDO1
SCHEMBL12218420 0.56 RAB9A (0.74) KMT2AMAPTLMNAGAAHTT
SCHEMBL30926907 0.56 GPR27 (0.66) KMT2AMAPTLMNAMEN1TP53
SCHEMBL27180149 0.56 GPR27 (0.66) KMT2AMAPTLMNAMEN1TP53

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