SCHEMBL4149729

SCHEMBL4149729

CCCCc1cccc2c1C=Nc1cc(C(=O)NCOC)ccc1S2

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 10/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
NPSR1 Q6W5P4 2/20 0.45
MAPT P10636 2/20 0.43
PLA2G1B P04054 2/20 0.43
HTT P42858 2/20 0.43
ATG4B Q9Y4P1 2/20 0.43
PAX8 Q06710 1/20 0.43
CNR1 P21554 3/20 0.42
CNR2 P34972 1/20 0.42
GAA P10253 2/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL4146312 0.84 CNR1 (0.46) TP53SMN1; SMN2NPSR1MAPTCNR1
SCHEMBL30587298 0.83 NPSR1 (0.63) TP53SMN1; SMN2NPSR1MAPTPLA2G1B
SCHEMBL4149731 0.82 TP53 (0.36) TP53SMN1; SMN2NPSR1MAPTPLA2G1B
SCHEMBL4669460 0.77 TP53 (0.74) TP53SMN1; SMN2NPSR1MAPTPLA2G1B
SCHEMBL5576871 0.72 CNR1 (0.69) TP53SMN1; SMN2NPSR1MAPTPLA2G1B
SCHEMBL4884821 0.71 CNR1 (0.59) TP53SMN1; SMN2MAPTCNR1CNR2
SCHEMBL4668620 0.69 TP53 (0.60) TP53SMN1; SMN2NPSR1MAPTPLA2G1B
SCHEMBL4145291 0.69 POLB (0.44) TP53SMN1; SMN2NPSR1MAPTCNR1
SCHEMBL4788847 0.67 PLEC (0.47) TP53SMN1; SMN2NPSR1MAPTCNR1
SCHEMBL14542519 0.65 TP53 (0.89) TP53SMN1; SMN2NPSR1MAPTPLA2G1B

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-2009075691-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2009-06-18 WO disclosed