SCHEMBL366835

SCHEMBL366835

COc1ccc2c(C(=O)OCCN(C)C)c3ccccn3c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
KMT2A Q03164 6/20 0.53
KDM4E B2RXH2 6/20 0.53
MEN1 O00255 5/20 0.53
MAPT P10636 4/20 0.53
PABPC1 P11940 2/20 0.53
SAE1 Q9UBE0 2/20 0.53
UBA2 Q9UBT2 2/20 0.53
APAF1 O14727 1/20 0.53
G6PD P11413 1/20 0.53
CACNA1B Q00975 1/20 0.53
APBA1 Q02410 1/20 0.53
LMNA P02545 2/20 0.47
MAPK1 P28482 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
CASP3 P42574 1/20 0.47
HTT P42858 1/20 0.47
NCOA1 Q15788 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL364886 0.87 ALDH1A1 (0.50) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL366311 0.87 TDP1 (0.49) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL366407 0.87 KMT2A (0.48) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL364442 0.86 ALDH1A1 (0.53) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL365608 0.86 ALDH1A1 (0.53) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL365800 0.86 ALDH1A1 (0.47) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL365838 0.86 ALDH1A1 (0.49) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL364968 0.85 KDM4E (0.70) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL364681 0.85 ALDH1A1 (0.67) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL366557 0.85 ALDH1A1 (0.48) ALDH1A1KMT2AKDM4EMEN1MAPT

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