SCHEMBL20204636

SCHEMBL20204636

O=C1NC(=S)CN1Cc1ccc(CNCCc2cccc(OC3CCCC3)c2)nc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.36
DUT P33316 6/20 0.34
SLC6A9 P48067 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
IL6 P05231 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
HDAC4 P56524 2/20 0.32
MEF2D Q14814 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RORC P51449 1/20 0.32
EP300 Q09472 1/20 0.32
SLC5A1 P13866 1/20 0.32
BCHE P06276 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
SCHEMBL20204886 0.83 MCHR1 (0.35) ALDH1A1IL6TLR7MEN1KMT2A
SCHEMBL20204885 0.76 BCHE (0.36) ALDH1A1IL6TLR7MEN1KMT2A
SCHEMBL21536671 0.74 DUT (0.43) DUTALDH1A1MAPTRORCNPC1
SCHEMBL20204633 0.74 CYP2D6 (0.35) DUTALDH1A1MEN1KMT2ABCHE
SCHEMBL21536719 0.69 DUT (0.43) DUTALDH1A1NPC1
SCHEMBL21536061 0.66 DUT (0.41) DUTL3MBTL1
SCHEMBL21536675 0.66 DUT (0.43) DUTALDH1A1MEN1MAPTKMT2A
SCHEMBL21536564 0.64 DUT (0.43) DUTALDH1A1MEN1MAPTKMT2A
SCHEMBL20189396 0.63 DUT (0.49) DUTALDH1A1MEN1MAPTKMT2A
SCHEMBL20188201 0.63 DUT (0.49) DUT

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
WO-2018098209-A1 AMINO SULFONYL COMPOUNDS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed