SCHEMBL5086400

SCHEMBL5086400

COc1cc(C)c2cc(C(=O)N(N)C(=O)c3ccncc3)c(=O)oc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 7/20 0.41
MAPT P10636 6/20 0.41
GAA P10253 4/20 0.41
HTT P42858 1/20 0.41
CYP11B1 P15538 1/20 0.38
ALDH1A1 P00352 6/20 0.38
HPGD P15428 4/20 0.38
HSD17B10 Q99714 2/20 0.38
TP53 P04637 2/20 0.37
MAOB P27338 2/20 0.37
SLC16A3 O15427 1/20 0.37
NQO1 P15559 1/20 0.37
POLB P06746 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL1406485 0.89 KDM4E (0.47) MEN1KMT2AKDM4EMAPTGAA
SCHEMBL1406230 0.81 MAPT (0.54) MEN1KMT2ATDP1KDM4EMAPT
SCHEMBL1406253 0.74 SLC16A3 (0.59) MEN1KMT2ATDP1KDM4EMAPT
SCHEMBL19184746 0.73 KDM4E (0.51) MEN1KMT2ATDP1KDM4EMAPT
SCHEMBL1406630 0.72 ALDH1A1 (0.71) MEN1KMT2AKDM4EGAAALDH1A1
SCHEMBL19871176 0.70 CA12 (0.44) MEN1KMT2AKDM4EMAPTGAA
SCHEMBL14326164 0.70 MAOB (0.65) KMT2AKDM4EMAPTGAAALDH1A1
SCHEMBL1406487 0.70 NPC1 (0.56) MEN1KMT2AKDM4EMAPTGAA
SCHEMBL6687156 0.66 ALDH1A1 (0.77) MEN1KMT2ATDP1KDM4EMAPT
SCHEMBL6503060 0.66 NAPRT (0.52) MEN1KMT2AKDM4EGAAHTT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008013928-A2 TREATMENT OF CANCER WITH INTERFERON GENE DELIVERY IN COMBINATION WITH A TGF-BETA INHIBITOR BIOGEN IDEC MA INC. (US) 2008-01-31 WO disclosed