SCHEMBL3820347

SCHEMBL3820347

CN1c2cccc(S(C)(=O)=O)c2CCN1C(=O)c1cc2ccc(Br)cn2n1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.37
ALDH1A1 P00352 4/20 0.33
ESR2 Q92731 3/20 0.33
ESR1 P03372 2/20 0.33
POLB P06746 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
CCKBR P32239 1/20 0.32
TSHR P16473 2/20 0.31
HPGD P15428 1/20 0.31
AHR P35869 1/20 0.30
LMNA P02545 1/20 0.30
EED O75530 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL3812606 0.89 CCKBR (0.31) GRM5ALDH1A1MAPTCCKBRTSHR
SCHEMBL3818411 0.88 GRM5 (0.40) GRM5ALDH1A1ESR2ESR1POLB
SCHEMBL3815387 0.87 GRM5 (0.39) GRM5ALDH1A1ESR2ESR1POLB
SCHEMBL928362 0.86 GRM5 (0.51) GRM5ALDH1A1ESR2ESR1POLB
SCHEMBL3811207 0.86 NOTUM (0.40) GRM5ALDH1A1ESR2ESR1POLB
SCHEMBL13720475 0.86 NOTUM (0.40) GRM5ALDH1A1ESR2ESR1POLB
SCHEMBL3815655 0.85 GRM5 (0.38) GRM5ALDH1A1ESR2ESR1POLB
SCHEMBL3811296 0.84 NOTUM (0.42) GRM5ALDH1A1ESR2ESR1POLB
SCHEMBL3810581 0.83 NOTUM (0.43) GRM5ALDH1A1ESR2ESR1POLB
SCHEMBL3821305 0.83 GRM5 (0.36) GRM5ALDH1A1ESR2ESR1POLB

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