SCHEMBL1896809

SCHEMBL1896809

O=C1N=C2C(=Cc3ccccc32)NC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.38
LMNA P02545 2/20 0.33
CASP3 P42574 2/20 0.33
CASP7 P55210 2/20 0.33
CASP6 P55212 2/20 0.33
CASP8 Q14790 2/20 0.33
CASP2 P42575 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
PDGFRA P16234 1/20 0.32
FER P16591 1/20 0.32
LTK P29376 1/20 0.32
CDK8 P49336 1/20 0.32
ACVR1 Q04771 1/20 0.32
LRRK2 Q5S007 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
CDC25A P30304 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
SCHEMBL527160 0.69 ABCG2 (0.46) LMNACASP3MAPTABCG2MAOA
SCHEMBL8794953 0.66 CCKBR (0.35)
SCHEMBL7464999 0.63 ABCG2 (0.55) GSK3BLMNAMAPTABCG2CDK8
SCHEMBL21357371 0.63 GSK3B (0.38) GSK3BLMNACASP3CASP7CASP6
SCHEMBL30019213 0.61 ABCG2 (0.62) GSK3BLMNAGAAMAPTABCG2
SCHEMBL261676 0.61 ABCG2 (0.62) GSK3BLMNAGAAMAPTABCG2
SCHEMBL1898381 0.60 ABCG2 (0.37) ABCG2CDC25ACDC25B
SCHEMBL9321512 0.58 GSK3B (0.41) GSK3BLMNACASP3CASP7CASP6
SCHEMBL29394879 0.58 GSK3B (0.40) GSK3BLMNACASP3CASP7CASP6
SCHEMBL113314 0.58 GSK3B (0.40) GSK3BLMNACASP3CASP7CASP6

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-2011063164-A2 SUSTAINED RELEASE CANNABINOID MEDICAMENTS STEADY SLEEP RX CO., INC. (US) 2011-05-26 WO disclosed