SCHEMBL366327

SCHEMBL366327

CCOC(=O)c1c2ccc(OCCN3CCCCC3)cc2n2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.63
KMT2A Q03164 3/20 0.63
KDM4E B2RXH2 3/20 0.63
ALDH1A1 P00352 3/20 0.63
MEN1 O00255 2/20 0.63
SAE1 Q9UBE0 2/20 0.63
UBA2 Q9UBT2 2/20 0.63
APAF1 O14727 1/20 0.63
G6PD P11413 1/20 0.63
PABPC1 P11940 1/20 0.63
CACNA1B Q00975 1/20 0.63
APBA1 Q02410 1/20 0.63
LMNA P02545 1/20 0.55
HPGD P15428 1/20 0.55
XBP1 P17861 1/20 0.55
MPI P34949 1/20 0.55
GAA P10253 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53

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
SCHEMBL10280356 0.91 KDM4E (0.61) MAPTKMT2AKDM4EALDH1A1MEN1
SCHEMBL366329 0.84 KDM4E (0.50) KDM4E
SCHEMBL365438 0.84 ALDH1A1 (0.70) MAPTKMT2AKDM4EALDH1A1MEN1
SCHEMBL365061 0.83 KMT2A (0.49) MAPTKMT2AKDM4EALDH1A1MEN1
SCHEMBL10280686 0.83 ALDH1A1 (0.71) MAPTKMT2AKDM4EALDH1A1MEN1
SCHEMBL364681 0.82 ALDH1A1 (0.67) MAPTKMT2AKDM4EALDH1A1MEN1
SCHEMBL365131 0.82 ALDH1A1 (0.67) MAPTKMT2AKDM4EALDH1A1MEN1
SCHEMBL366942 0.81 ALDH1A1 (0.66) MAPTKMT2AKDM4EALDH1A1MEN1
SCHEMBL364757 0.81 ALDH1A1 (0.61) MAPTKMT2AKDM4EALDH1A1MEN1
SCHEMBL365500 0.81 ALDH1A1 (0.56) MAPTKMT2AKDM4EALDH1A1MEN1

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 3 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
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed