SCHEMBL4696800

SCHEMBL4696800

CS(=O)(=O)N1CCN(Cc2ccc(C(=O)CNCCOC(=O)N(c3ccccc3-c3ccccc3)N3CC[CH]CC3)nc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 6/20 0.42
PDCD1 Q15116 4/20 0.42
LYN P07948 1/20 0.39
SRC P12931 1/20 0.39
KDR P35968 2/20 0.36
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
AKT1 P31749 1/20 0.33
AKT2 P31751 1/20 0.33
KDM4E B2RXH2 3/20 0.33
ALOX15 P16050 1/20 0.33
HTT P42858 1/20 0.33
LMNA P02545 1/20 0.32
CDK6 Q00534 1/20 0.32
RECQL P46063 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PIK3CA P42336 1/20 0.32
SYK P43405 1/20 0.32

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
SCHEMBL4695712 0.90 MEN1 (0.38) CD274PDCD1KDRMEN1KMT2A
SCHEMBL4695757 0.84 CD274 (0.39) CD274PDCD1HTTSMN1; SMN2
SCHEMBL4696348 0.83 PDCD1 (0.38) CD274PDCD1
SCHEMBL6027369 0.81 OPRM1 (0.37) CD274PDCD1
SCHEMBL4695744 0.78 HDAC1 (0.37) ALDH1A1KMT2AKDM4ELMNACDK6
SCHEMBL4691194 0.78 DRD4 (0.38) ALDH1A1MEN1KMT2AAKT1KDM4E
SCHEMBL5501520 0.76 CHRM2 (0.43) CD274ALDH1A1AKT1AKT2KDM4E
SCHEMBL4695511 0.75 PDCD1 (0.34) CD274PDCD1HTTSMN1; SMN2
SCHEMBL5803928 0.75 MAOB (0.35) CD274PDCD1
SCHEMBL5412081 0.75 CD274 (0.44) CD274AKT1AKT2LMNASMN1; SMN2

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-1893577-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS Theravance, Inc. (US) 2008-03-05 EP claimed
WO-2006138218-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2006-12-28 WO claimed