SCHEMBL3817857

SCHEMBL3817857

O=C(O)c1cc2c([N+](=O)[O-])cc(Br)cn2n1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.37
GPR35 Q9HC97 1/20 0.36
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
ERN1 O75460 1/20 0.34
FBP1 P09467 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL3815358 0.84 LMNA (0.34) LMNAALDH1A1MAPTHTT
SCHEMBL3810487 0.83 CASP6 (0.37) CASP6L3MBTL1APOBEC3AAPOBEC3GFBP1
SCHEMBL3815611 0.79 RXFP1 (0.40) RXFP1APOBEC3AAPOBEC3GALDH1A1KDM4E
SCHEMBL3815109 0.77 APOBEC3A (0.60) LMNAL3MBTL1APOBEC3AAPOBEC3GALDH1A1
SCHEMBL3820839 0.77 APOBEC3A (0.38) APOBEC3AAPOBEC3GALDH1A1MAPTKMT2A
SCHEMBL31153514 0.76 RXFP1 (0.51) CYP1A2RXFP1L3MBTL1APOBEC3AAPOBEC3G
SCHEMBL13721020 0.75 RAB9A (0.39) LMNACYP1A2CYP2C19L3MBTL1APOBEC3A
SCHEMBL3821167 0.75 HPGD (0.55) ALDH1A1MAPTHTTKMT2A
SCHEMBL3818158 0.73 SCD (0.43) L3MBTL1ALDH1A1MAPT
SCHEMBL3811238 0.73 NAMPT (0.39) L3MBTL1ALDH1A1MAPT

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-2090576-A1 6-halo-pyrazolo[1,5-a]pyridines, a process for their preparation and their use as metabotropic glutamate receptor (mGluR) modulators Merz Pharma GmbH & Co.KGaA (DE) 2009-08-19 EP claimed
EP-2090576-A1 6-halo-pyrazolo[1,5-a]pyridines, a process for their preparation and their use as metabotropic glutamate receptor (mGluR) modulators Merz Pharma GmbH & Co.KGaA (DE) 2009-08-19 EP disclosed
WO-2009095253-A1 6-HALO-PYRAZOLO[1, 5-A]PYRIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR (MGLUR) MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2009-08-06 WO disclosed