SCHEMBL13617004

SCHEMBL13617004

CCCCn1c(C)c(C)cc(SC#N)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.43
CNR1 P21554 1/20 0.42
KDM4E B2RXH2 2/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 2/20 0.35
PGR P06401 1/20 0.35
RORA P35398 1/20 0.35
RORC P51449 1/20 0.35
RORB Q92753 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
MCOLN3 Q8TDD5 1/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL215195 0.83 CNR2 (0.48) CNR2CNR1ALDH1A1MAPTTDP1
SCHEMBL215196 0.81 CNR2 (0.46) CNR2CNR1KDM4EALDH1A1MAPT
SCHEMBL2760206 0.78 L3MBTL1 (0.48) CNR2CNR1KDM4EUSP2ALDH1A1
SCHEMBL2736607 0.77 CYP19A1 (0.35) KDM4EUSP2ALDH1A1MAPTL3MBTL1
SCHEMBL216494 0.72 CNR2 (0.52) CNR2CNR1KDM4EALDH1A1MAPT
SCHEMBL217634 0.72 CNR2 (0.49) CNR2CNR1ALDH1A1MAPTTDP1
SCHEMBL216146 0.72 CNR2 (0.49) CNR2CNR1KDM4EUSP2ALDH1A1
SCHEMBL216181 0.71 CNR2 (0.54) CNR2CNR1KDM4ETDP1L3MBTL1
SCHEMBL2760076 0.69 CNR2 (0.52) CNR2CNR1KDM4EALDH1A1MAPT
SCHEMBL215944 0.69 CNR2 (0.63) CNR2CNR1KDM4EALDH1A1POLB

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-1477186-B1 ANTIPRURITICS SHIONOGI & CO (JP) 2009-11-11 EP disclosed