SCHEMBL7572004

SCHEMBL7572004

Cc1ccc(C(=O)O)c2nc3ccccc3cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
RAD52 P43351 2/20 0.44
KDM4E B2RXH2 5/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GLA P06280 1/20 0.43
PKM P14618 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
UHRF1 Q96T88 1/20 0.43
PDE10A Q9Y233 2/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MGAM O43451 2/20 0.41
HSD17B10 Q99714 2/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40

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
SCHEMBL27489867 0.87 IKBKB (0.53) ALDH1A1RAD52KDM4EUHRF1
SCHEMBL13425642 0.84 RAD52 (0.48) ALDH1A1RAB9ARAD52KDM4EMEN1
SCHEMBL27624951 0.82 IKBKB (0.54) ALDH1A1NPC1RAB9ARAD52KDM4E
SCHEMBL7564771 0.82 RAD52 (0.59) ALDH1A1NPC1RAB9ARAD52KDM4E
SCHEMBL7564788 0.82 KDM4E (0.47) ALDH1A1KDM4EMEN1KMT2AGLA
SCHEMBL4903727 0.82 ALDH1A1 (0.54) ALDH1A1NPC1RAB9ARAD52KDM4E
SCHEMBL8520765 0.82 ALDH1A1 (0.49) ALDH1A1NPC1RAB9ARAD52KDM4E
SCHEMBL30543767 0.80 TDP1 (0.50) ALDH1A1NPC1RAB9AKDM4EMEN1
SCHEMBL11981379 0.80 TDP1 (0.50) ALDH1A1NPC1RAB9AKDM4EMEN1
SCHEMBL7567602 0.79 ALDH1A1 (0.61) ALDH1A1KDM4EPDE10ALMNASMN1; SMN2

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