SCHEMBL5546835

SCHEMBL5546835

O=C(NC1=NCC2=CN(S(=O)(=O)c3ccc(Cl)cc3)CCC2=N1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 1/20 0.44
FLT4 P35916 1/20 0.44
KDR P35968 1/20 0.44
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
NPC1 O15118 2/20 0.41
MAPT P10636 5/20 0.41
PTPN1 P18031 1/20 0.40
TP53 P04637 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
RAB9A P51151 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
ALDH1A1 P00352 3/20 0.37
POLB P06746 2/20 0.37
BLM P54132 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
PGR P06401 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL5546201 0.88 ABL1 (0.40) MEN1KMT2A
SCHEMBL5545021 0.84 EPHX2 (0.39) MEN1KMT2ANPC1TP53RAB9A
SCHEMBL5546261 0.80 KDM4E (0.41) MEN1KMT2ANPC1MAPTTP53
SCHEMBL5548490 0.78 MAPT (0.39) MEN1KMT2AMAPTTP53RAB9A
SCHEMBL5548489 0.77 TUBB4A (0.50) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL5546901 0.75 ALDH1A1 (0.51) KMT2AMAPTALDH1A1POLBCYP3A4
SCHEMBL5545098 0.74 MAPT (0.38) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL5546833 0.73 FLT1 (0.42) FLT1FLT4KDRMEN1KMT2A
SCHEMBL5546870 0.68 NAMPT (0.34) KMT2ANPC1MAPTRAB9AALDH1A1
SCHEMBL5548468 0.66 KMT2A (0.40) FLT1FLT4KDRMEN1KMT2A

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