SCHEMBL7974372

SCHEMBL7974372

O=C(/C=C/c1c[nH]cn1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.43
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
BCL9 O00512 1/20 0.41
CTNNB1 P35222 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
PKM P14618 1/20 0.40
MAPT P10636 2/20 0.40
MAOB P27338 2/20 0.39
PTGS2 P35354 2/20 0.39
MAOA P21397 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PTPN7 P35236 1/20 0.38
PTPN12 Q05209 1/20 0.38
PTPN22 Q9Y2R2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL7974374 1.00 GAA (0.43) GAAKMT2AMEN1BCL9CTNNB1
SCHEMBL4661270 0.77 GAA (0.61) GAAKMT2AMEN1BCL9CTNNB1
SCHEMBL956911 0.77 GAA (0.61) GAAKMT2AMEN1BCL9CTNNB1
SCHEMBL17355377 0.76 MAOB (0.61) GAAKMT2AMEN1MAPTMAOB
SCHEMBL9523424 0.76 MAOB (0.61) GAAKMT2AMEN1MAPTMAOB
SCHEMBL15367534 0.76 MAOB (0.61) GAAKMT2AMEN1MAPTMAOB
SCHEMBL5315888 0.76 MAOB (0.61) GAAKMT2AMEN1MAPTMAOB
SCHEMBL7995200 0.76 ALDH1A1 (0.53) GAAKMT2ABCL9CTNNB1PKM
SCHEMBL11248999 0.74 GAA (0.38) GAAKMT2ABCL9CTNNB1PKM
SCHEMBL6908275 0.72 CYP1B1 (0.64) GAAKMT2AMEN1MAPTMAOB

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE37303-E1 Imidazole compounds and their therapeutic applications INSTITUT NATIONAL DEL LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2001-07-31 US claimed
US-5708171-A HISTAMINE H3-RECEPTOR ANTAGONIST INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1998-01-13 US claimed
US-RE37303-E1 Imidazole compounds and their therapeutic applications INSTITUT NATIONAL DEL LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2001-07-31 US disclosed
EP-0597088-B1 NOVEL IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATIONS INST NAT SANTE RECH MED (FR) 2000-12-06 EP disclosed
US-5708171-A HISTAMINE H3-RECEPTOR ANTAGONIST INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1998-01-13 US disclosed
US-5559113-A ANTAGONISTS TO HISTAMINE H3 RECEPTORS, SEDATIVES, ANTICONVULSANTS, ANTIULCER AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE 1996-09-24 US disclosed
EP-0597088-A1 NOVEL IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATIONS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1994-05-18 EP disclosed
WO-1993014070-A2 NOVEL IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATIONS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1993-07-22 WO disclosed