SCHEMBL7572680

SCHEMBL7572680

Cc1cc(C)c2nc3c(C(=O)O)cccc3cc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.46
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
GAA P10253 2/20 0.43
MEN1 O00255 2/20 0.43
POLB P06746 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
APEX1 P27695 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
RCE1 Q9Y256 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.43
HSD17B10 Q99714 3/20 0.41
HPGD P15428 2/20 0.41
METAP2 P50579 1/20 0.40
NR4A1 P22736 1/20 0.39
NR4A2 P43354 1/20 0.39
NR4A3 Q92570 1/20 0.39

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
SCHEMBL5459806 0.87 ALDH1A1 (0.50) PARP1ALDH1A1KDM4EPOLBKMT2A
SCHEMBL27417062 0.87 PARP1 (0.62) PARP1ALDH1A1KDM4EGAA
SCHEMBL7568945 0.84 PARP1 (0.43) PARP1ALDH1A1KDM4EGAAMEN1
SCHEMBL7566766 0.79 MEN1 (0.60) PARP1ALDH1A1KDM4EMEN1POLB
SCHEMBL27417841 0.78 TDP1 (0.43) PARP1ALDH1A1KDM4EMEN1POLB
SCHEMBL5781932 0.78 ALDH1A1 (0.46) PARP1ALDH1A1KDM4EPOLBHSD17B10
SCHEMBL8415169 0.77 HDAC1 (0.47) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL7568079 0.77 ALDH1A1 (0.51) PARP1ALDH1A1KDM4EGAAMEN1
SCHEMBL9355371 0.76 PARP1 (0.74) PARP1ALDH1A1KDM4E
SCHEMBL8415172 0.76 AOX1 (0.38) PARP1ALDH1A1GAAPOLB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1116285-C Bis(acridinecarboxamide) and Bis(phenazinecarboxamide) as antitumour agents XENOVA LTD (GB) 2003-07-30 CN disclosed
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
CN-1240430-A Bis(acridinecarboxamide) and Bis(phenazinecarboxamide) as antitumour agents XENOVA LTD (GB) 2000-01-05 CN 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