SCHEMBL366931

SCHEMBL366931

N#CCOc1ccc2c(C(=O)OCCN3CCOCC3)c3ccccc3n2c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.42
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
CNR2 P34972 1/20 0.41
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL365062 0.92 TSHR (0.42) ALDH1A1HPGDKMT2A
SCHEMBL366930 0.86 ALDH1A1 (0.47) CNR1ALDH1A1KDM4EHPGDLMNA
SCHEMBL365361 0.84 PPARG (0.49) CNR1ALDH1A1KDM4EGAA
SCHEMBL365979 0.83 ALDH1A1 (0.36) ALDH1A1KDM4EHPGDLMNAKMT2A
SCHEMBL366275 0.83 ALDH1A1 (0.36) ALDH1A1KDM4EHPGDLMNAKMT2A
SCHEMBL364902 0.83 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDLMNAKMT2A
SCHEMBL366244 0.83 PSEN1 (0.41) ALDH1A1KDM4EHPGDLMNAKMT2A
SCHEMBL365753 0.83 ALDH1A1 (0.35) ALDH1A1KDM4EHPGDLMNAKMT2A
SCHEMBL366794 0.82 PSEN1 (0.36) ALDH1A1KDM4ELMNAKMT2AGAA
SCHEMBL366164 0.82 TSHR (0.39) ALDH1A1KDM4EHPGDLMNAKMT2A

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