SCHEMBL3820355

SCHEMBL3820355

CC1c2ccoc2CCN1C(=O)c1cc2c([N+](=O)[O-])cc(Br)cn2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NCOA1 Q15788 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
ALDH1A1 P00352 4/20 0.33
ESR2 Q92731 2/20 0.33
ESR1 P03372 1/20 0.33
POLB P06746 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPK1 P28482 3/20 0.32
LMNA P02545 2/20 0.32
GAA P10253 2/20 0.31
OPRK1 P41145 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
ALOX15 P16050 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL3820112 0.89 OPRK1 (0.35) HTTSMN1; SMN2NCOA1NCOA3ALDH1A1
SCHEMBL3813961 0.87 ALDH1A1 (0.36) HTTALDH1A1ESR2ESR1POLB
SCHEMBL3814391 0.84 TRPC3 (0.40) HTTSMN1; SMN2NCOA1NCOA3MAPK1
SCHEMBL3819293 0.84 TRPC3 (0.40) HTTSMN1; SMN2NCOA1NCOA3MAPK1
SCHEMBL3819302 0.84 GRM5 (0.40) HTTSMN1; SMN2NCOA1NCOA3MAPK1
SCHEMBL3815288 0.83 HTT (0.42) HTTSMN1; SMN2NCOA1NCOA3ALDH1A1
SCHEMBL3812614 0.82 PARP1 (0.38) HTTSMN1; SMN2NCOA1NCOA3ALDH1A1
SCHEMBL3820250 0.80 ALDH1A1 (0.36) HTTALDH1A1ESR2ESR1POLB
SCHEMBL1866659 0.78 ESR2 (0.55) ALDH1A1ESR2ESR1POLBCTDSP1
SCHEMBL3818054 0.78 SHMT2 (0.36) HTTSMN1; SMN2NCOA1NCOA3ALDH1A1

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-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
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