SCHEMBL7564097

SCHEMBL7564097

O=C(NCCCC1CNCCN1CCCNC(=O)c1cccc2cc3ccccc3nc12)c1cccc2cc3ccccc3nc12

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 0.41
TAAR1 Q96RJ0 1/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 3/20 0.39
GLA P06280 2/20 0.39
GAA P10253 2/20 0.39
CASP1 P29466 2/20 0.39
CASP7 P55210 2/20 0.39
MAPK1 P28482 1/20 0.39
POLR1A O95602 1/20 0.39
LMNA P02545 3/20 0.38
TP53 P04637 3/20 0.38
ACP1 P24666 2/20 0.38
HTT P42858 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
SCHEMBL7564101 0.80 HDAC1 (0.64) HDAC1HDAC6AOX1MEN1KMT2A
SCHEMBL7566843 0.76 HDAC1 (0.55) HDAC1HDAC6AOX1MEN1KMT2A
SCHEMBL7567057 0.74 HDAC1 (0.71) HDAC1HDAC6AOX1MEN1KMT2A
SCHEMBL8415116 0.73 HDAC1 (0.69) HDAC1HDAC6AOX1MEN1KMT2A
SCHEMBL7568845 0.71 HDAC1 (0.67) HDAC1HDAC6AOX1MEN1KMT2A
SCHEMBL7566347 0.71 HDAC1 (0.67) HDAC1HDAC6AOX1MEN1KMT2A
SCHEMBL7573624 0.70 HDAC1 (0.65) HDAC1HDAC6AOX1MEN1KMT2A
Hydrochloric Acid SCHEMBL7561189 0.69 HDAC1 (0.64) HDAC1HDAC6AOX1MEN1KMT2A
SCHEMBL14439636 0.69 HDAC1 (0.64) HDAC1HDAC6AOX1MEN1KMT2A
SCHEMBL105276 0.69 AOX1 (0.78) HDAC1HDAC6AOX1KDM4EALDH1A1

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