SCHEMBL7568945

SCHEMBL7568945

COC(=O)c1cccc2cc3cc(C)cc(C)c3nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KDM4E B2RXH2 4/20 0.42
GAA P10253 2/20 0.42
KMT2A Q03164 2/20 0.42
ATM Q13315 1/20 0.42
HSD17B10 Q99714 2/20 0.41
RIPK1 Q13546 1/20 0.40
PKN1 Q16512 1/20 0.40
PKN2 Q16513 1/20 0.40
PSMD14 O00487 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 1/20 0.38
GLA P06280 1/20 0.38
MAPT P10636 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
TOP2A P11388 2/20 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
SCHEMBL7572680 0.84 PARP1 (0.46) PARP1KDM4EGAAKMT2AHSD17B10
SCHEMBL27417062 0.83 PARP1 (0.62) PARP1KDM4EGAAALDH1A1
SCHEMBL6420958 0.78 PARP1 (0.68) PARP1KDM4EGAAKMT2AATM
SCHEMBL2441807 0.78 KDM4E (0.45) SLC6A2SLC6A4SLC6A3KDM4EGAA
SCHEMBL7030506 0.77 KDM4E (0.56) SLC6A2SLC6A4SLC6A3KDM4EGAA
SCHEMBL8415169 0.76 HDAC1 (0.47) KDM4EKMT2AALDH1A1MEN1MAPT
SCHEMBL8415172 0.75 AOX1 (0.38) PARP1GAAALDH1A1POLB
SCHEMBL27417840 0.75 ALDH1A1 (0.41) PARP1KDM4EGAAKMT2AALDH1A1
SCHEMBL7573604 0.74 AOX1 (0.52) KDM4E
SCHEMBL7573598 0.74 TAS1R3 (0.38) PARP1GAAALDH1A1POLB

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 4 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 disclosed
US-6114332-A BACTERICIDES XENOVA LIMITED (GB) 2000-09-05 US disclosed
EP-0934278-A1 BIS(ACRIDINECARBOXAMIDE) AND BIS(PHENAZINECARBOXAMIDE) AS ANTITUMOUR AGENTS XENOVA LIMITED (GB) 1999-08-11 EP disclosed
WO-1998017650-A1 BIS(ACRIDINECARBOXAMIDE) AND BIS(PHENAZINECARBOXAMIDE) AS ANTITUMOUR AGENTS XENOVA LIMITED (GB) 1998-04-30 WO disclosed