SCHEMBL14818211

SCHEMBL14818211

NC1=NS(=O)(=O)Nc2cccc(OCCCCCCNC(=O)NCc3ccc(O)cc3)c21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FES P07332 1/20 0.35
RET P07949 1/20 0.35
MARK3 P27448 1/20 0.35
TYK2 P29597 1/20 0.35
FLT4 P35916 1/20 0.35
SYK P43405 1/20 0.35
CLK2 P49760 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
MTOR P42345 1/20 0.34
EPHX2 P34913 3/20 0.33
MCHR1 Q99705 1/20 0.33
SLC6A5 Q9Y345 2/20 0.32
TRPV1 Q8NER1 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HDAC3 O15379 3/20 0.32
HDAC4 P56524 3/20 0.32
HDAC1 Q13547 3/20 0.32
HDAC7 Q8WUI4 3/20 0.32
HDAC2 Q92769 3/20 0.32
HDAC10 Q969S8 3/20 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
SCHEMBL619209 0.91 CASR (0.41) SLC6A5HDAC3HDAC4HDAC1HDAC7
SCHEMBL621772 0.84 MCHR1 (0.34) MCHR1HDAC3HDAC1HDAC6
SCHEMBL14818210 0.82 PPIB (0.31) MTOR
SCHEMBL12322088 0.82 CNR1 (0.34) MCHR1HDAC3HDAC1
SCHEMBL624852 0.82 MTNR1A (0.45)
SCHEMBL621144 0.79 CA12 (0.45) TDP1CA12CA1CA2CA9
SCHEMBL10257890 0.79 MTNR1A (0.44) MCHR1
SCHEMBL14818193 0.78 DRD2 (0.30)
SCHEMBL10259004 0.78 CA12 (0.44) TDP1CA12CA1CA2CA9
SCHEMBL10285591 0.78 BRD4 (0.34) MCHR1HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2573559-A1 Modulation of chemosensory receptors and ligands associated Senomyx, Inc. (US) 2013-03-27 EP disclosed