SCHEMBL7572103

SCHEMBL7572103

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOX1 Q06278 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
TACR3 P29371 5/20 0.36
LMNA P02545 1/20 0.35
ESR1 P03372 1/20 0.35
GAA P10253 2/20 0.35
PARP1 P09874 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HTT P42858 1/20 0.34
PKM P14618 1/20 0.33
RPS6KB1 P23443 1/20 0.33
CYSLTR2 Q9NS75 1/20 0.33
CYSLTR1 Q9Y271 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL7565639 0.92 AOX1 (0.45) AOX1HDAC1HDAC6TACR3LMNA
SCHEMBL7566344 0.88 HDAC1 (0.48) AOX1HDAC1HDAC6TACR3GAA
SCHEMBL7566165 0.87 TAS1R3 (0.39) AOX1HDAC1HDAC6TACR3ESR1
SCHEMBL7564033 0.87 HDAC1 (0.40) AOX1HDAC1HDAC6TACR3GAA
SCHEMBL7565752 0.87 FGFR4 (0.38) AOX1HDAC1HDAC6PARP1TAS1R3
SCHEMBL7566479 0.86 AOX1 (0.42) AOX1HDAC1HDAC6TACR3GAA
SCHEMBL7567197 0.85 KDM4E (0.48) ESR1GAAPARP1TAS1R3TAS1R1
SCHEMBL7565911 0.84 RAD52 (0.39) AOX1HDAC1HDAC6TACR3LMNA
SCHEMBL7572699 0.84 AOX1 (0.46) AOX1HDAC1HDAC6TACR3LMNA
SCHEMBL7565766 0.82 AOX1 (0.46) AOX1HDAC1HDAC6LMNAPARP1

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