SCHEMBL7568147

SCHEMBL7568147

COc1ccc2cc3cccc(C(=O)O)c3nc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.48
ALDH1A1 P00352 4/20 0.48
HPGD P15428 3/20 0.48
POLB P06746 3/20 0.48
HSD17B10 Q99714 1/20 0.48
LMNA P02545 2/20 0.47
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.47
NFKB1 P19838 1/20 0.47
RAB9A P51151 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
ATM Q13315 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MTNR1A P48039 1/20 0.47
PARP1 P09874 2/20 0.46
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
FABP4 P15090 1/20 0.44

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
SCHEMBL7566734 0.89 KDM4E (0.51) KDM4EALDH1A1HPGDPOLBHSD17B10
SCHEMBL7564949 0.81 ALDH1A1 (0.65) KDM4EALDH1A1HPGDPOLBHSD17B10
SCHEMBL7573459 0.81 ALDH1A1 (0.65) KDM4EALDH1A1HPGDPOLBHSD17B10
SCHEMBL902623 0.79 ALDH1A1 (0.66) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL7568155 0.78 ALDH1A1 (0.49) KDM4EALDH1A1HPGDMAPTCYP2C9
SCHEMBL7570690 0.78 ALDH1A1 (0.49) KDM4EALDH1A1HPGDPOLBHSD17B10
SCHEMBL14304530 0.78 ALDH1A1 (0.49) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL7567042 0.78 ALDH1A1 (0.49) ALDH1A1HPGDPOLBHSD17B10LMNA
SCHEMBL7564799 0.78 HDAC1 (0.52) KDM4EALDH1A1HPGDPOLBHSD17B10
SCHEMBL7567204 0.77 NPC1 (0.47) KDM4EALDH1A1HPGDPOLBHSD17B10

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