SCHEMBL7567057

SCHEMBL7567057

O=C(NCCCNCCCNC(=O)c1cccc2cc3ccccc3nc12)c1cccc2cc3ccccc3nc12

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.71
HDAC6 Q9UBN7 1/20 0.71
AOX1 Q06278 1/20 0.56
RAD52 P43351 5/20 0.49
UHRF1 Q96T88 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
SMARCA2 P51531 1/20 0.44
HTT P42858 2/20 0.44
TSHR P16473 1/20 0.43
ALOX15 P16050 1/20 0.41
DNM2 P50570 1/20 0.41
LMNA P02545 1/20 0.41
ALOX5 P09917 1/20 0.41
MEN1 O00255 1/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
KMT2A Q03164 1/20 0.41

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
Hydrochloric Acid SCHEMBL7561189 0.94 HDAC1 (0.64) HDAC1HDAC6AOX1RAD52UHRF1
SCHEMBL7568845 0.92 HDAC1 (0.67) HDAC1HDAC6AOX1RAD52UHRF1
SCHEMBL14439636 0.89 HDAC1 (0.64) HDAC1HDAC6AOX1RAD52UHRF1
SCHEMBL8415116 0.88 HDAC1 (0.69) HDAC1HDAC6AOX1RAD52UHRF1
SCHEMBL7566347 0.86 HDAC1 (0.67) HDAC1HDAC6AOX1RAD52UHRF1
SCHEMBL7573624 0.85 HDAC1 (0.65) HDAC1HDAC6AOX1RAD52UHRF1
SCHEMBL7521360 0.84 HDAC1 (0.52) HDAC1HDAC6AOX1RAD52SMN1; SMN2
SCHEMBL7564101 0.84 HDAC1 (0.64) HDAC1HDAC6AOX1KDM4EALDH1A1
SCHEMBL29369424 0.83 AOX1 (0.78) HDAC1HDAC6AOX1RAD52UHRF1
SCHEMBL105276 0.83 AOX1 (0.78) HDAC1HDAC6AOX1RAD52UHRF1

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 3 patents. 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
EP-0934278-B1 BIS(ACRIDINECARBOXAMIDE) AND BIS(PHENAZINECARBOXAMIDE) AS ANTITUMOUR AGENTS XENOVA LTD (GB) 2002-09-04 EP disclosed
US-6114332-A BACTERICIDES XENOVA LIMITED (GB) 2000-09-05 US disclosed