SCHEMBL4067726

SCHEMBL4067726

O=C(O)C(=O)Cc1ccncc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
CYP1A2 P05177 2/20 0.44
HTT P42858 4/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
HIPK2 Q9H2X6 1/20 0.38
GAA P10253 2/20 0.38
CYP2C9 P11712 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
NCOA1 Q15788 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37

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
SCHEMBL4067719 1.00 ALDH1A1 (0.45) ALDH1A1CYP1A2HTTRAB9ALMNA
SCHEMBL3329624 0.88 CYP1A2 (0.57) ALDH1A1CYP1A2HTTRAB9ALMNA
SCHEMBL3329616 0.88 CYP1A2 (0.57) ALDH1A1CYP1A2HTTRAB9ALMNA
SCHEMBL27658733 0.84 ALDH1A1 (0.41) ALDH1A1CYP1A2HTTRAB9AMAPT
SCHEMBL5115689 0.81 ALDH1A1 (0.45) ALDH1A1CYP1A2HTTRAB9AMAPT
SCHEMBL14783897 0.80 PDGFRB (0.50) ALDH1A1HTTRAB9ALMNAMAPT
SCHEMBL1982550 0.79 ALDH1A1 (0.44) ALDH1A1CYP1A2HTTRAB9ALMNA
SCHEMBL978329 0.79 CTDSP1 (0.45) ALDH1A1HTTRAB9ALMNAMAPT
SCHEMBL12343951 0.79 ALDH1A1 (0.46) ALDH1A1CYP1A2HTTRAB9AMAPT
SCHEMBL9690178 0.77 ALDH1A1 (0.58) ALDH1A1RAB9ALMNAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1912644-B1 N-(ARYLALKYL)-1H-PYRROLOPYRIDINE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND USE THEREOF SANOFI AVENTIS (FR) 2009-12-16 EP disclosed
EP-1877409-B1 SUBSTITUTED PYRROLO-PYRIDINES, COMPOSITION CONTAINING THEM, METHOD FOR THEIR PRODUCING AND USE THEREOF AVENTIS PHARMA SA (FR) 2009-06-17 EP disclosed
EP-1912644-A2 N-(ARYLALKYL)-1H-PYRROLOPYRIDINE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND USE THEREOF Sanofi-Aventis (FR) 2008-04-23 EP disclosed
EP-1877409-A2 SUBSTITUTED PYRROLO-PYRIDINES, COMPOSITION CONTAINING THEM, METHOD FOR THEIR PRODUCING AND USE THEREOF Aventis Pharma S.A. (FR) 2008-01-16 EP disclosed
WO-2007010138-A2 N(ARYLALKYL)-1H-PYRROLOPYRIDINE-2-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-01-25 WO disclosed
WO-2006114520-A2 SUBSTITUTED PYRROLO-PYRIDINES, COMPOSITION CONTAINING THEM, METHOD FOR THEIR PRODUCING AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2006-11-02 WO disclosed