SCHEMBL8204959

SCHEMBL8204959

CCCNS(=O)(=O)c1ccc2c(c1)N=C(c1ccc(Cl)cc1)c1ccsc1S2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.43
MAPT P10636 4/20 0.39
LMNA P02545 2/20 0.39
RXRA P19793 1/20 0.36
CNR2 P34972 1/20 0.35
THRB P10828 2/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.35
ALDH1A1 P00352 1/20 0.35
NFKB1 P19838 1/20 0.35
HTR2A P28223 1/20 0.35
ADRA1A P35348 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL14205655 0.80 CNR1 (0.54) CNR1MAPTLMNARXRACNR2
SCHEMBL5058677 0.79 CNR1 (0.66) CNR1MAPTRXRACNR2TP53
SCHEMBL8213526 0.78 CNR1 (0.39) CNR1MAPTLMNATHRBTSHR
SCHEMBL13807777 0.77 CNR1 (0.51) CNR1MAPTLMNARXRACNR2
SCHEMBL14206922 0.73 CNR1 (0.46) CNR1MAPTLMNACNR2CYP3A4
SCHEMBL14043678 0.70 CNR1 (0.47) CNR1MAPTLMNARXRACNR2
SCHEMBL13807944 0.70 CNR1 (0.46) CNR1MAPTRXRACNR2TP53
SCHEMBL8213532 0.69 MAPT (0.39) CNR1MAPTLMNACNR2TP53
SCHEMBL8212751 0.68 POLB (0.45) CNR1MAPTLMNARXRACNR2
SCHEMBL11883523 0.67 CA1 (0.68) MAPTLMNATHRBTP53TSHR

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-2008048648-A2 CB1-MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2008-04-24 WO disclosed