SCHEMBL7564799

SCHEMBL7564799

CNCCCNC(=O)c1cccc2cc3ccc(OC)cc3nc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
AOX1 Q06278 1/20 0.47
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 4/20 0.46
GLA P06280 4/20 0.46
GAA P10253 4/20 0.46
HPGD P15428 4/20 0.46
HSD17B10 Q99714 4/20 0.46
MAPT P10636 3/20 0.46
CYP1A2 P05177 3/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 1/20 0.46
MTNR1A P48039 1/20 0.46
TP53 P04637 2/20 0.45
POLB P06746 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
AURKA O14965 1/20 0.45

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
SCHEMBL7567199 0.88 MEN1 (0.55) HDAC1HDAC6AOX1MEN1KMT2A
SCHEMBL7564809 0.80 AOX1 (0.60) HDAC1HDAC6AOX1MEN1KMT2A
SCHEMBL8414264 0.79 AOX1 (0.61) HDAC1HDAC6AOX1KMT2AKDM4E
SCHEMBL7572168 0.78 AOX1 (0.57) HDAC1HDAC6AOX1MEN1KMT2A
SCHEMBL7570661 0.78 AOX1 (0.57) HDAC1HDAC6AOX1KDM4EALDH1A1
SCHEMBL8413595 0.78 AOX1 (0.54) HDAC1HDAC6AOX1TSHRRAD52
SCHEMBL7568147 0.78 KDM4E (0.48) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL7573617 0.78 HDAC1 (0.49) HDAC1HDAC6AOX1KMT2AKDM4E
SCHEMBL8624357 0.78 HDAC1 (0.49) HDAC1HDAC6AOX1MEN1KMT2A
SCHEMBL7567204 0.76 NPC1 (0.47) AOX1MEN1KMT2AKDM4EALDH1A1

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
EP-0934278-B1 BIS(ACRIDINECARBOXAMIDE) AND BIS(PHENAZINECARBOXAMIDE) AS ANTITUMOUR AGENTS XENOVA LTD (GB) 2002-09-04 EP claimed