SCHEMBL7564033

SCHEMBL7564033

CCC(NC(=O)c1cccc2cc3ccc(Br)cc3nc12)C(N)C(CC)NC(=O)c1cccc2cc3ccc(Br)cc3nc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
AOX1 Q06278 1/20 0.39
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 2/20 0.37
PARP1 P09874 2/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
POLB P06746 2/20 0.33
TACR3 P29371 1/20 0.33
NPC1 O15118 1/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
RECQL P46063 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CD38 P28907 1/20 0.33

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
SCHEMBL7565049 0.92 AOX1 (0.45) HDAC1HDAC6AOX1KDM4EALDH1A1
SCHEMBL7566344 0.88 HDAC1 (0.48) HDAC1HDAC6AOX1KDM4EALDH1A1
SCHEMBL7566165 0.87 TAS1R3 (0.39) HDAC1HDAC6AOX1KDM4EALDH1A1
SCHEMBL7572103 0.87 AOX1 (0.39) HDAC1HDAC6AOX1KDM4EALDH1A1
SCHEMBL7566479 0.86 AOX1 (0.42) HDAC1HDAC6AOX1KDM4EALDH1A1
SCHEMBL7567197 0.85 KDM4E (0.48) KDM4EALDH1A1GAAPARP1TAS1R3
SCHEMBL7565752 0.85 FGFR4 (0.38) HDAC1HDAC6AOX1ALDH1A1PARP1
SCHEMBL7567229 0.84 TAS1R3 (0.37) HDAC1HDAC6AOX1ALDH1A1PARP1
SCHEMBL7564042 0.84 AOX1 (0.46) HDAC1HDAC6AOX1KDM4EALDH1A1
SCHEMBL7565911 0.82 RAD52 (0.39) 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 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