SCHEMBL365361

SCHEMBL365361

CCOC(=O)c1c2ccccc2n2cc(OCCN3CCOCC3)ccc12

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.49
CNR1 P21554 1/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.45

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
SCHEMBL366329 0.90 KDM4E (0.50) KDM4E
SCHEMBL10280356 0.85 KDM4E (0.61) PPARGGAASMN1; SMN2KDM4EALDH1A1
SCHEMBL366931 0.84 CNR1 (0.42) CNR1GAAKDM4EALDH1A1
SCHEMBL365016 0.82 KDM4E (0.50) SMN1; SMN2KDM4EALDH1A1
SCHEMBL365439 0.81 KDM4E (0.48) GAASMN1; SMN2KDM4EALDH1A1
SCHEMBL366286 0.80 MAPT (0.48) GAASMN1; SMN2KDM4EALDH1A1
SCHEMBL364682 0.80 KMT2A (0.58) GAASMN1; SMN2KDM4EALDH1A1
SCHEMBL365132 0.80 ALDH1A1 (0.46) GAASMN1; SMN2KDM4EALDH1A1
SCHEMBL366943 0.79 KDM4E (0.46) GAASMN1; SMN2KDM4EALDH1A1
SCHEMBL365760 0.78 KDM4E (0.53) GAASMN1; SMN2KDM4EALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed