SCHEMBL365703

SCHEMBL365703

COc1ccc2c(C(=O)NCCc3cccnc3)c3ccccn3c2c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.50
PTAFR P25105 5/20 0.49
TBXAS1 P24557 2/20 0.49
POLR1A O95602 1/20 0.48
KCNK3 O14649 1/20 0.47
KCNH2 Q12809 1/20 0.47
AURKA O14965 1/20 0.47
KDM4E B2RXH2 1/20 0.46
NAMPT P43490 1/20 0.45
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
PTGFR P43088 1/20 0.45
GAA P10253 1/20 0.44
POLB P06746 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL365704 0.85 KMT2A (0.52) KMT2APTAFRTBXAS1KCNK3KCNH2
SCHEMBL366361 0.81 S1PR3 (0.52) KMT2AKDM4ETP53MAPT
SCHEMBL364302 0.80 KMT2A (0.48) KMT2AKDM4EMTNR1AMTNR1BGAA
SCHEMBL365564 0.74 KMT2A (0.56) KMT2AKDM4EGAAPOLBTP53
SCHEMBL24273319 0.73 LMNA (0.52) PTAFRKCNK3KCNH2KDM4ENAMPT
SCHEMBL24273219 0.73 PTGER4 (0.65) KMT2APTAFRNAMPTGAAPOLB
SCHEMBL365013 0.73 KDM4E (0.58) KMT2AKDM4EGAAPOLBTP53
SCHEMBL24273183 0.72 KCNK3 (0.56) KMT2AKCNK3KCNH2KDM4EMTNR1A
SCHEMBL24273393 0.72 PTGER4 (0.64) KMT2APTAFRKCNK3KCNH2GAA
SCHEMBL364593 0.72 KMT2A (0.56) KMT2AKDM4EGAAPOLBMAPT

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