SCHEMBL2024935

SCHEMBL2024935

O=C(Nc1cc([N+](=O)[O-])ccc1C(=O)O)c1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C(=O)O)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.71
KMT2A Q03164 6/20 0.71
PABPC1 P11940 1/20 0.71
DUSP3 P51452 1/20 0.71
PTPN5 P54829 1/20 0.71
PTPN11 Q06124 1/20 0.71
EIF4H Q15056 1/20 0.71
CTDSP1 Q9GZU7 1/20 0.71
AKR1C4 P17516 1/20 0.70
AKR1C3 P42330 1/20 0.70
AKR1C2 P52895 1/20 0.70
AKR1C1 Q04828 1/20 0.70
NPC1 O15118 1/20 0.65
RAB9A P51151 1/20 0.65
PKM P14618 1/20 0.60
POLB P06746 1/20 0.59
MAPT P10636 1/20 0.59
BLM P54132 1/20 0.59
PYGL P06737 8/20 0.58
PYGM P11217 2/20 0.58

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
SCHEMBL2031092 0.90 KCNK2 (0.64) MEN1KMT2APABPC1DUSP3PTPN5
SCHEMBL7787033 0.86 KMT2A (0.72) MEN1KMT2APABPC1DUSP3PTPN5
SCHEMBL2024937 0.86 AKR1C4 (0.54) MEN1KMT2APABPC1DUSP3PTPN5
SCHEMBL4092971 0.85 KMT2A (0.71) MEN1KMT2AAKR1C4AKR1C3AKR1C2
SCHEMBL2273640 0.85 HDAC2 (0.67) MEN1KMT2AAKR1C4AKR1C3AKR1C2
SCHEMBL13802484 0.84 HTT (0.74) MEN1KMT2AAKR1C4AKR1C3AKR1C2
SCHEMBL13802485 0.84 SERPINE1 (0.59) MEN1KMT2AAKR1C4AKR1C3AKR1C2
SCHEMBL13802483 0.84 WDR5 (0.60) MEN1KMT2APABPC1DUSP3PTPN5
SCHEMBL2273067 0.83 HDAC2 (0.76) MEN1KMT2AAKR1C4AKR1C3AKR1C2
SCHEMBL6349484 0.83 AKR1C4 (0.78) MEN1KMT2APABPC1DUSP3PTPN5

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-2332528-A1 Substituted aromatic dicarbonic acid amides as medicaments Grünenthal GmbH (DE) 2011-06-15 EP claimed
EP-2332528-A1 Substituted aromatic dicarbonic acid amides as medicaments Grünenthal GmbH (DE) 2011-06-15 EP disclosed
EP-2332528-A1 Substituted aromatic dicarbonic acid amides as medicaments Grünenthal GmbH (DE) 2011-06-15 EP disclosed