SCHEMBL13709151

SCHEMBL13709151

COC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.72
KMT2A Q03164 9/20 0.72
MAPT P10636 5/20 0.58
ALDH1A1 P00352 4/20 0.58
MAPK1 P28482 1/20 0.58
RAB9A P51151 4/20 0.57
POLB P06746 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C19 P33261 1/20 0.57
BLM P54132 1/20 0.54
KDM4E B2RXH2 1/20 0.54
AURKA O14965 1/20 0.52
AURKB Q96GD4 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
AKR1C4 P17516 1/20 0.52
AKR1C3 P42330 1/20 0.52
AKR1C2 P52895 1/20 0.52
AKR1C1 Q04828 1/20 0.52
TP53 P04637 1/20 0.51

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
SCHEMBL4565265 0.87 MAPT (0.63) MEN1KMT2AMAPTALDH1A1MAPK1
SCHEMBL4565267 0.87 MAPT (0.63) MEN1KMT2AMAPTALDH1A1MAPK1
SCHEMBL13709155 0.87 KMT2A (0.66) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL7130573 0.85 MEN1 (0.71) MEN1KMT2AMAPTALDH1A1MAPK1
SCHEMBL13709141 0.84 MEN1 (0.67) MEN1KMT2AMAPTALDH1A1MAPK1
SCHEMBL16494381 0.84 MEN1 (0.57) MEN1KMT2AMAPTALDH1A1MAPK1
SCHEMBL16494872 0.84 MEN1 (0.81) MEN1KMT2AMAPTALDH1A1MAPK1
SCHEMBL13709133 0.84 ALOX5 (0.56) MEN1KMT2AMAPTALDH1A1MAPK1
SCHEMBL16494620 0.84 KDM4E (0.52) MEN1KMT2AMAPTALDH1A1MAPK1
SCHEMBL29402041 0.83 MAPT (0.53) MEN1KMT2AMAPTALDH1A1MAPK1

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-2292587-A1 PHARMACEUTICAL COMPOSITION FOR INHIBITING THE TRANSCRIPTION FACTOR INDUCIBLE BY HYPOXIA, MODULATORS OF PATHOLOGICAL PROCESSES OF ANGIOGENESIS, ONCOGENESIS, INFLAMMATION, APOPTOSIS, AND CELLULAR THERAPY Fundacion De La Comunidad Valenciana Centro De Investigacion Principe Felipe (ES) 2011-03-09 EP disclosed
EP-2292587-A1 PHARMACEUTICAL COMPOSITION FOR INHIBITING THE TRANSCRIPTION FACTOR INDUCIBLE BY HYPOXIA, MODULATORS OF PATHOLOGICAL PROCESSES OF ANGIOGENESIS, ONCOGENESIS, INFLAMMATION, APOPTOSIS, AND CELLULAR THERAPY Fundacion De La Comunidad Valenciana Centro De Investigacion Principe Felipe (ES) 2011-03-09 EP disclosed
WO-2009112615-A1 PHARMACEUTICAL COMPOSITION FOR INHIBITING THE TRANSCRIPTION FACTOR INDUCIBLE BY HYPOXIA, MODULATORS OF PATHOLOGICAL PROCESSES OF ANGIOGENESIS, ONCOGENESIS, INFLAMMATION, APOPTOSIS, AND CELLULAR THERAPY FUNDACIÓN DE LA COMUNIDAD VALENCIANA, CENTRO DE INVESTIGACIÓN PRINCIPE FELIPE (ES) 2009-09-17 WO disclosed