SCHEMBL3667552

SCHEMBL3667552

COC(=O)NS(=O)(=O)c1ccc(NC[C@@H](CC(C)C)n2ccc3c(F)cccc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 5/20 0.38
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
ALOX12 P18054 2/20 0.33
POLB P06746 3/20 0.33
LARS1 Q9P2J5 1/20 0.33
KMT2A Q03164 4/20 0.32
MEN1 O00255 3/20 0.32
ALOX15 P16050 1/20 0.32
LMNA P02545 2/20 0.32
HTT P42858 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
CDK1 P06493 1/20 0.32
CDK2 P24941 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GAA P10253 1/20 0.31
GFER P55789 1/20 0.31

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
SCHEMBL4883497 0.86 KMT2A (0.40) NR3C2POLBLARS1KMT2AMEN1
SCHEMBL10165500 0.86 KMT2A (0.40) NR3C2POLBLARS1KMT2AMEN1
SCHEMBL4883496 0.86 KMT2A (0.40) NR3C2POLBLARS1KMT2AMEN1
SCHEMBL10165431 0.81 KMT2A (0.43) NR3C2POLBKMT2AMEN1LMNA
SCHEMBL4944238 0.81 KMT2A (0.43) NR3C2POLBKMT2AMEN1LMNA
SCHEMBL4944245 0.81 KMT2A (0.43) NR3C2POLBKMT2AMEN1LMNA
SCHEMBL10165458 0.74 SMN1; SMN2 (0.46) NR3C2POLBKMT2AMEN1LMNA
SCHEMBL10165511 0.72 KMT2A (0.39) POLBKMT2AMEN1LMNAHTT
SCHEMBL10165444 0.71 MEN1 (0.43) NR3C2POLBKMT2AMEN1LMNA
SCHEMBL10165505 0.71 POLB (0.46) POLBKMT2AMEN1HTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2158183-A2 ION CHANNEL MODULATORS AND METHODS OF USE Vertex Pharmaceuticals Incorporated (US) 2010-03-03 EP disclosed
WO-2008147797-A2 ION CHANNEL MODULATORS AND METHODS OF USE VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-12-04 WO disclosed