SCHEMBL14767703

SCHEMBL14767703

NNC1=NS(=O)(=O)Nc2cccc(OCC3CCOCC3)c21

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.42
DCPS Q96C86 1/20 0.42
MCHR1 Q99705 3/20 0.38
BRD4 O60885 1/20 0.36
P2RX4 Q99571 8/20 0.33
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
GRM4 Q14833 1/20 0.32
FFAR2 O15552 1/20 0.32
CYP2D6 P10635 1/20 0.32
XDH P47989 1/20 0.32
RORC P51449 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
SCHEMBL10258677 0.87 DHFR (0.47) DHFRDCPSMCHR1BRD4P2RX4
SCHEMBL10257341 0.81 MCHR1 (0.51) DHFRDCPSMCHR1BRD4GRM4
SCHEMBL2416840 0.79 MCHR1 (0.40) DHFRDCPSMCHR1BRD4
SCHEMBL2419230 0.77 MCHR1 (0.46) DHFRDCPSMCHR1BRD4
SCHEMBL27102256 0.76 MCHR1 (0.47) MCHR1
SCHEMBL10266648 0.75 BRD4 (0.35) DHFRDCPSMCHR1BRD4P2RX4
SCHEMBL6015806 0.75 IKBKB (0.41) MCHR1PIM1PIM2
SCHEMBL10258266 0.72 BRD4 (0.42) BRD4FFAR2
SCHEMBL620797 0.71 KAT2B (0.38) DHFRDCPSMCHR1PIM1PIM3
SCHEMBL15605503 0.71 IRAK4 (0.41)

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-2568287-A2 Modulation of chemosensory receptors and ligands associated Senomyx, Inc. (US) 2013-03-13 EP disclosed