SCHEMBL9849840

SCHEMBL9849840

C#CCN1CC(=O)Oc2ccc(NN)cc21

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.33
MAPT P10636 2/20 0.33
ALOX15 P16050 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33
ALOX12 P18054 1/20 0.33
MAPK1 P28482 1/20 0.33
ATM Q13315 1/20 0.33
HTT P42858 1/20 0.32
USP2 O75604 1/20 0.31

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
SCHEMBL9641548 0.78 GAA (0.30) GAAMAPTALOX15
SCHEMBL9641528 0.76 GAA (0.35) GAAMAPTALOX15ALDH1A1KDM4E
SCHEMBL9641552 0.73 GAA (0.32) GAAMAPTALOX15ALDH1A1KDM4E
SCHEMBL4683602 0.72 PLK1 (0.42) MAPTALOX15ALDH1A1HTT
SCHEMBL9643026 0.66
SCHEMBL9641542 0.65 GRM1 (0.37)
SCHEMBL9641242 0.64 KDM4E (0.33) GAAMAPTKDM4EMAPK1HTT
SCHEMBL9850007 0.63 NPY2R (0.30)
SCHEMBL9641249 0.63 MEN1 (0.36) ALDH1A1KDM4EKMT2AMEN1HTT
SCHEMBL9195139 0.61 MEN1 (0.51) MAPTALOX15ALDH1A1KMT2AMEN1

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-0427031-A2 N-aryl-nitrogen heterocycles BAYER AG (DE) 1991-05-15 EP disclosed