SCHEMBL366295

SCHEMBL366295

CN(C)CCNC(=O)c1ccc2c(C(=O)OCCN(C)C)c3ccccn3c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 4/20 0.45
MAPT P10636 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SAE1 Q9UBE0 2/20 0.45
UBA2 Q9UBT2 2/20 0.45
APAF1 O14727 1/20 0.45
G6PD P11413 1/20 0.45
PABPC1 P11940 1/20 0.45
CACNA1B Q00975 1/20 0.45
APBA1 Q02410 1/20 0.45
EGFR P00533 1/20 0.44
SRC P12931 1/20 0.44
IDO1 P14902 2/20 0.42
TDO2 P48775 2/20 0.42
PTGER4 P35408 1/20 0.41
ACSS2 Q9NR19 1/20 0.41
ALOX5 P09917 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL364233 0.94 KDM4E (0.44) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL366389 0.94 ALDH1A1 (0.44) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL361356 0.91 EGFR (0.47) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL365857 0.90 KMT2A (0.46) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL365238 0.89 EGFR (0.53) ALDH1A1KDM4EMAPTEGFRSRC
SCHEMBL366311 0.89 TDP1 (0.49) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL364812 0.88 MAPT (0.49) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL366535 0.87 EGFR (0.48) ALDH1A1KDM4EMAPTEGFRSRC
SCHEMBL365410 0.87 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL366301 0.86 TDP1 (0.46) ALDH1A1KDM4EMAPTMEN1KMT2A

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