SCHEMBL367060

SCHEMBL367060

CC(=NO)c1ccc2c(C(=O)CN(C)C)c3ccccn3c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.46
ALDH1A1 P00352 8/20 0.46
MAPT P10636 7/20 0.46
LMNA P02545 5/20 0.46
HPGD P15428 5/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HTT P42858 3/20 0.37
USP2 O75604 1/20 0.36
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
SAE1 Q9UBE0 2/20 0.36
UBA2 Q9UBT2 2/20 0.36
APAF1 O14727 1/20 0.36
G6PD P11413 1/20 0.36
PABPC1 P11940 1/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
GFER P55789 3/20 0.36

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
SCHEMBL367059 1.00 KDM4E (0.46) KDM4EALDH1A1MAPTLMNAHPGD
SCHEMBL366837 0.89 ALDH1A1 (0.40) KDM4EALDH1A1MAPTLMNAHPGD
SCHEMBL364979 0.86 KDM4E (0.40) KDM4EALDH1A1MAPTLMNAHPGD
SCHEMBL364978 0.86 KDM4E (0.40) KDM4EALDH1A1MAPTLMNAHPGD
SCHEMBL367061 0.82 KDM4E (0.43) KDM4EALDH1A1MAPTLMNAHPGD
SCHEMBL364304 0.79 CHRM1 (0.38) KDM4EALDH1A1MAPTLMNAHPGD
SCHEMBL366185 0.77 CYP1A2 (0.42) KDM4EALDH1A1MAPTLMNAHPGD
SCHEMBL365937 0.77 S1PR3 (0.38) KDM4EALDH1A1MAPTLMNAHPGD
SCHEMBL365936 0.77 S1PR3 (0.38) KDM4EALDH1A1MAPTLMNAHPGD
SCHEMBL366441 0.75 ALDH1A1 (0.43) KDM4EALDH1A1MAPTLMNAHPGD

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