SCHEMBL7573481

SCHEMBL7573481

CC(C)c1ccccc1Nc1c(C(=O)O)cccc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLCN2 P51788 1/20 0.53
CXCL8 P10145 5/20 0.52
KMT2A Q03164 4/20 0.47
LMNA P02545 3/20 0.47
MEN1 O00255 3/20 0.46
PTGS2 P35354 3/20 0.46
AKR1C3 P42330 3/20 0.46
AKR1B10 O60218 2/20 0.46
ABCB11 O95342 2/20 0.46
CHRM1 P11229 2/20 0.46
PTGS1 P23219 2/20 0.46
AKR1C2 P52895 2/20 0.46
AKR1C1 Q04828 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
HIF1A Q16665 2/20 0.46
TRPA1 O75762 1/20 0.46
DHFR P00374 1/20 0.46
MPO P05164 1/20 0.46

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
SCHEMBL1186465 0.87 FABP4 (0.59) CLCN2KMT2ALMNAMEN1PTGS2
Benzene SCHEMBL28132022 0.78 ALDH1A1 (0.59) KMT2ALMNAMEN1AKR1C3PTGS1
SCHEMBL29657201 0.78 ALDH1A1 (0.59) KMT2ALMNAMEN1AKR1C3PTGS1
SCHEMBL254364 0.78 ALDH1A1 (0.59) KMT2ALMNAMEN1AKR1C3PTGS1
Hydrogen Peroxide SCHEMBL9514730 0.78 ALDH1A1 (0.59) KMT2ALMNAMEN1AKR1C3PTGS1
Ammonia Solution, Strong SCHEMBL11877644 0.77 ALDH1A1 (0.56) KMT2ALMNAMEN1AKR1C3PTGS1
SCHEMBL28432760 0.77 ALDH1A1 (0.56) KMT2ALMNAMEN1AKR1C3PTGS1
SCHEMBL7573477 0.75 CLCN2 (0.77) CLCN2CXCL8KMT2ALMNAMEN1
Hydrazine SCHEMBL27571459 0.75 ALDH1A1 (0.54) KMT2ALMNAMEN1AKR1C3NAPRT
Water SCHEMBL27489910 0.75 ALDH1A1 (0.54) KMT2ALMNAMEN1AKR1C3NAPRT

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