SCHEMBL364758

SCHEMBL364758

CCOC(=O)c1c2ccccc2n2cc(OC(=O)N3CCCC3)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 4/20 0.43
MAPT P10636 3/20 0.43
APAF1 O14727 1/20 0.43
G6PD P11413 1/20 0.43
PABPC1 P11940 1/20 0.43
CACNA1B Q00975 1/20 0.43
APBA1 Q02410 1/20 0.43
SAE1 Q9UBE0 1/20 0.43
UBA2 Q9UBT2 1/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NPC1 O15118 2/20 0.42
TSHR P16473 1/20 0.40
CNR2 P34972 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
SCHEMBL365016 0.91 KDM4E (0.50) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL367142 0.84 KDM4E (0.47) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL366638 0.84 KDM4E (0.47) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL364757 0.83 ALDH1A1 (0.61) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL364969 0.82 KDM4E (0.53) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL364802 0.81 KDM4E (0.49) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL366329 0.81 KDM4E (0.50) KDM4E
SCHEMBL365359 0.78 ALDH1A1 (0.47) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL365501 0.78 ALDH1A1 (0.40) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL366598 0.78 KDM4E (0.40) MEN1KMT2AALDH1A1KDM4EMAPT

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