SCHEMBL365602

SCHEMBL365602

N#CCOc1ccc2c(C(=O)NS(=O)(=O)Cc3cccnc3)c3ccccn3c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
KDM4E B2RXH2 4/20 0.41
MAPT P10636 3/20 0.39
SAE1 Q9UBE0 2/20 0.39
UBA2 Q9UBT2 2/20 0.39
APAF1 O14727 1/20 0.39
G6PD P11413 1/20 0.39
PABPC1 P11940 1/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
S1PR3 Q99500 3/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HSD17B10 Q99714 1/20 0.36
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
XBP1 P17861 1/20 0.35

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
SCHEMBL365498 0.91 KMT2A (0.45) ALDH1A1KMT2AMEN1KDM4EMAPT
SCHEMBL365603 0.87 TSHR (0.38) ALDH1A1KDM4EMAPTS1PR3MAPK1
SCHEMBL367073 0.86 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1KDM4EMAPT
SCHEMBL366343 0.84 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1KDM4EMAPT
SCHEMBL364893 0.82 KMT2A (0.47) ALDH1A1KMT2AMEN1KDM4EMAPT
SCHEMBL364827 0.81 KMT2A (0.48) ALDH1A1KMT2AMEN1KDM4EMAPT
SCHEMBL366059 0.81 S1PR3 (0.38) ALDH1A1KMT2AKDM4EMAPTS1PR3
SCHEMBL367541 0.80 PSEN1 (0.46) ALDH1A1KMT2AMEN1KDM4EMAPT
SCHEMBL366150 0.78 KMT2A (0.48) ALDH1A1KMT2AMEN1KDM4EMAPT
SCHEMBL365499 0.77 P4HTM (0.38) ALDH1A1KMT2AMEN1KDM4EMAPT

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