SCHEMBL7565862

SCHEMBL7565862

CC(C)(C)c1ccc2nc3c(C(=O)O)cccc3cc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
AOX1 Q06278 1/20 0.44
TDP1 Q9NUW8 1/20 0.40
NOTUM Q6P988 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALOX15 P16050 1/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
DHODH Q02127 1/20 0.38
CYSLTR2 Q9NS75 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38
NR1H4 Q96RI1 2/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
PPARG P37231 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
NR4A1 P22736 1/20 0.36
NR4A2 P43354 1/20 0.36
NR4A3 Q92570 1/20 0.36

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
SCHEMBL7566766 0.81 MEN1 (0.60) ALDH1A1AOX1MEN1KMT2AKDM4E
SCHEMBL902623 0.79 ALDH1A1 (0.66) ALDH1A1MEN1KMT2AALOX15DHODH
SCHEMBL7028197 0.79 AOX1 (0.74) ALDH1A1AOX1KDM4EHDAC1HDAC6
SCHEMBL7568063 0.78 ALDH1A1 (0.49) ALDH1A1AOX1MEN1KMT2ADHODH
SCHEMBL7569493 0.78 ALDH1A1 (0.49) ALDH1A1AOX1TDP1MEN1KMT2A
SCHEMBL7575249 0.78 ALDH1A1 (0.49) ALDH1A1AOX1MEN1KMT2ADHODH
SCHEMBL7566734 0.78 KDM4E (0.51) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL7030651 0.78 MEN1 (0.53) ALDH1A1AOX1MEN1KMT2AALOX15
SCHEMBL7572783 0.78 ALDH1A1 (0.45) ALDH1A1AOX1NOTUMMEN1KMT2A
SCHEMBL7569359 0.77 ALDH1A1 (0.51) ALDH1A1DHODH

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