SCHEMBL4445674

SCHEMBL4445674

O=C(O)c1cccc(NC(=O)c2ccccc2[N+](=O)[O-])c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.68
KMT2A Q03164 4/20 0.68
HTT P42858 2/20 0.59
GAA P10253 1/20 0.59
NCOA1 Q15788 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
NCOA3 Q9Y6Q9 1/20 0.59
RAB9A P51151 2/20 0.58
P2RX1 P51575 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
ABCG2 Q9UNQ0 1/20 0.57
MAPT P10636 2/20 0.56
NPC1 O15118 1/20 0.56
PKM P14618 1/20 0.56
PAX8 Q06710 1/20 0.56
POLB P06746 1/20 0.56

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
Hydrochloric Acid SCHEMBL2105315 0.99 MEN1 (0.67) MEN1KMT2AHTTGAANCOA1
SCHEMBL2105313 0.88 MEN1 (0.70) MEN1KMT2AHTTGAANCOA1
SCHEMBL13709155 0.86 KMT2A (0.66) MEN1KMT2AHTTGAASMN1; SMN2
SCHEMBL4565267 0.86 MAPT (0.63) MEN1KMT2AGAASMN1; SMN2RAB9A
SCHEMBL4565265 0.86 MAPT (0.63) MEN1KMT2AGAASMN1; SMN2RAB9A
SCHEMBL995085 0.85 GAA (0.77) MEN1KMT2AHTTGAANCOA1
SCHEMBL27969765 0.83 KMT2A (0.71) MEN1KMT2AHTTGAANCOA1
Methyl Alcohol SCHEMBL4957272 0.83 GAA (0.73) MEN1KMT2AHTTGAANCOA1
SCHEMBL5223456 0.82 MEN1 (0.78) MEN1KMT2AHTTGAANCOA1
SCHEMBL5665828 0.82 KMT2A (0.74) MEN1KMT2AHTTGAANCOA1

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-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
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