SCHEMBL5546201

SCHEMBL5546201

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 5/20 0.40
LGALS8 O00214 1/20 0.40
LGALS3 P17931 1/20 0.40
AR P10275 1/20 0.39
TRPV1 Q8NER1 2/20 0.38
SCN9A Q15858 1/20 0.37
HDAC3 O15379 2/20 0.37
HDAC4 P56524 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC7 Q8WUI4 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC10 Q969S8 2/20 0.37
HDAC11 Q96DB2 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC9 Q9UKV0 2/20 0.37
HDAC5 Q9UQL6 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
EPHX2 P34913 2/20 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
SCHEMBL5546835 0.88 FLT1 (0.44) MEN1KMT2A
SCHEMBL5545021 0.79 EPHX2 (0.39) EPHX2MEN1KMT2A
SCHEMBL5548489 0.79 TUBB4A (0.50) SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL5546196 0.77 TRPV1 (0.38) ABL1LGALS8LGALS3ARTRPV1
SCHEMBL5540828 0.75 MAPT (0.44) LMNAMEN1KMT2A
SCHEMBL5546901 0.73 ALDH1A1 (0.51) KMT2A
SCHEMBL5548490 0.72 MAPT (0.39) SMN1; SMN2MEN1KMT2A
SCHEMBL5545098 0.71 MAPT (0.38) SMN1; SMN2LMNAEPHX2MEN1KMT2A
SCHEMBL3530290 0.69 SCN9A (0.44) ABL1ARSCN9AHDAC3HDAC4
SCHEMBL5540369 0.68 CPT2 (0.40) TRPV1LMNAMEN1HTTKMT2A

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