SCHEMBL7566566

SCHEMBL7566566

CC(C)N(c1ccccc1)c1c(C(=O)O)cccc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.45
ALOX15 P16050 2/20 0.45
MAPT P10636 3/20 0.44
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
HDAC8 Q9BY41 1/20 0.42
TP53 P04637 1/20 0.41
NR4A1 P22736 1/20 0.40
NR4A2 P43354 1/20 0.40
NR4A3 Q92570 1/20 0.40
LTB4R2 Q9NPC1 2/20 0.40
MYC P01106 1/20 0.40
KDM4E B2RXH2 3/20 0.39
HPGD P15428 3/20 0.39
CA12 O43570 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
SCHEMBL4245598 0.82 ALDH1A1 (0.45) ALDH1A1ALOX15MAPTLMNASMN1; SMN2
SCHEMBL19596110 0.79 ALDH1A1 (0.44) ALDH1A1ALOX15MAPTLMNASMN1; SMN2
SCHEMBL7568731 0.75 MCL1 (0.42) ALDH1A1ALOX15MAPTLMNASMN1; SMN2
Isopropyldiphenylamine SCHEMBL2119060 0.73 ALDH1A1 (0.50) ALDH1A1MAPTLMNASMN1; SMN2NPC1
Isopropyldiphenylamine SCHEMBL2119054 0.73 ALDH1A1 (0.50) ALDH1A1MAPTLMNASMN1; SMN2NPC1
Phthalic Acid SCHEMBL8925302 0.72 ALDH1A1 (0.64) ALDH1A1ALOX15MAPTLMNASMN1; SMN2
SCHEMBL8412035 0.71 ALDH1A1 (0.47) ALDH1A1ALOX15MAPTLMNASMN1; SMN2
Isopropyldiphenylamine SCHEMBL29931884 0.71 ALDH1A1 (0.49) ALDH1A1MAPTLMNASMN1; SMN2NPC1
Phthalic Acid SCHEMBL28418540 0.71 ALDH1A1 (0.78) ALDH1A1ALOX15MAPTSMN1; SMN2HDAC8
SCHEMBL11476066 0.71 ALDH1A1 (0.53) ALDH1A1MAPTLMNASMN1; SMN2NPC1

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 3 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
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