SCHEMBL365506

SCHEMBL365506

CCC=CCOC(=O)c1c2ccc(OCC#N)cc2n2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.55
KMT2A Q03164 8/20 0.55
KDM4E B2RXH2 7/20 0.55
MEN1 O00255 6/20 0.55
MAPT P10636 6/20 0.55
SAE1 Q9UBE0 2/20 0.55
UBA2 Q9UBT2 2/20 0.55
PABPC1 P11940 2/20 0.55
APAF1 O14727 1/20 0.55
G6PD P11413 1/20 0.55
CACNA1B Q00975 1/20 0.55
APBA1 Q02410 1/20 0.55
HPGD P15428 3/20 0.50
LMNA P02545 2/20 0.50
XBP1 P17861 1/20 0.50
MPI P34949 1/20 0.50
L3MBTL1 Q9Y468 4/20 0.49
MAPK1 P28482 3/20 0.49
POLB P06746 2/20 0.49
GAA P10253 4/20 0.49

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
SCHEMBL366287 1.00 ALDH1A1 (0.55) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL365504 1.00 ALDH1A1 (0.55) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL366148 0.93 ALDH1A1 (0.53) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL365710 0.93 ALDH1A1 (0.53) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL365708 0.93 ALDH1A1 (0.53) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL365456 0.91 ALDH1A1 (0.53) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL365458 0.91 ALDH1A1 (0.53) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL365329 0.91 ALDH1A1 (0.53) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL366138 0.91 ALDH1A1 (0.53) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL365331 0.91 ALDH1A1 (0.53) 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