SCHEMBL27749752

SCHEMBL27749752

CC(C(=O)C(C)c1cn(C)c2ccccc12)c1cn(C)c2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.57
IDO1 P14902 1/20 0.57
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.49
HTT P42858 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
POLB P06746 2/20 0.49
NR4A2 P43354 1/20 0.49
GAA P10253 1/20 0.48
NPC1 O15118 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MITF O75030 1/20 0.47
APAF1 O14727 1/20 0.46
IMPDH2 P12268 1/20 0.46

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
SCHEMBL2687045 0.88 KDM4E (0.64) KDM4EIDO1KMT2AMEN1ALDH1A1
SCHEMBL4092924 0.87 IDO1 (0.58) KDM4EIDO1KMT2AMEN1ALDH1A1
SCHEMBL13203774 0.84 NR4A2 (0.55) KDM4EIDO1KMT2AMEN1ALDH1A1
SCHEMBL2184960 0.84 NR4A2 (0.55) KDM4EIDO1KMT2AMEN1ALDH1A1
SCHEMBL7454499 0.82 KDM4E (0.53) KDM4EIDO1KMT2AMEN1ALDH1A1
SCHEMBL820361 0.80 IDO1 (0.61) KDM4EIDO1KMT2AMEN1ALDH1A1
SCHEMBL28836470 0.79 KDM4E (0.66) KDM4EIDO1KMT2AMEN1ALDH1A1
SCHEMBL9275412 0.79 KDM4E (0.74) KDM4EIDO1KMT2AMEN1ALDH1A1
SCHEMBL27429030 0.78 NQO2 (0.42) KDM4EIDO1KMT2AMEN1ALDH1A1
SCHEMBL28952690 0.78 KDM4E (0.56) KDM4EIDO1KMT2AMEN1ALDH1A1

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
CN-101370803-B Substituted indolyl-alkyl-amino-derivatives as inhibitors of histone deacetylase JANSSEN PHARMACEUTICA NV 2012-12-12 CN disclosed
CN-101370803-A Substituted indolyl-alkyl-amino-derivatives as inhibitors of histone deacetylase JANSSEN PHARMACEUTICA NV (BE) 2009-02-18 CN disclosed