SCHEMBL7570699

SCHEMBL7570699

CNCCCNC(=O)c1cccc2cc3c(C)ccc(C)c3nc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
AOX1 Q06278 1/20 0.43
DNM2 P50570 1/20 0.40
PIK3CD O00329 2/20 0.40
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
HPGD P15428 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 2/20 0.39
TSHR P16473 1/20 0.39
RAD52 P43351 2/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
POLR1A O95602 1/20 0.38

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
SCHEMBL7567212 0.86 AOX1 (0.49) HDAC1HDAC6AOX1HTTRAD52
SCHEMBL7567208 0.85 HDAC1 (0.43) HDAC1HDAC6AOX1KDM4EALDH1A1
SCHEMBL8415169 0.84 HDAC1 (0.47) HDAC1HDAC6AOX1DNM2PIK3CD
SCHEMBL8413334 0.83 RAD52 (0.54) HDAC1HDAC6PIK3CDKDM4EALDH1A1
SCHEMBL7569545 0.83 RAD52 (0.56) HDAC1HDAC6AOX1KDM4EALDH1A1
SCHEMBL8415079 0.82 RAD52 (0.50) HDAC1HDAC6AOX1ALDH1A1KMT2A
SCHEMBL7521360 0.82 HDAC1 (0.52) HDAC1HDAC6AOX1DNM2KDM4E
SCHEMBL7573617 0.81 HDAC1 (0.49) HDAC1HDAC6AOX1DNM2KDM4E
SCHEMBL8624357 0.81 HDAC1 (0.49) HDAC1HDAC6AOX1DNM2ADORA2A
SCHEMBL7567238 0.80 RAD52 (0.47) HDAC1HDAC6AOX1PIK3CDHTT

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