SCHEMBL3821005

SCHEMBL3821005

CC1c2ccc(Cl)n2CCN1C(=O)c1cc2ccc(Br)cn2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
GAA P10253 4/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
TP53 P04637 1/20 0.33
EIF4A3 P38919 2/20 0.33
TACR3 P29371 4/20 0.33
TDP1 Q9NUW8 1/20 0.32
GRM5 P41594 2/20 0.32
TSHR P16473 3/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HPGD P15428 1/20 0.31
ESR2 Q92731 1/20 0.31
HCRTR2 O43614 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
SCHEMBL3816870 0.90 KDM4E (0.39) ALDH1A1GAAMAPTKDM4EMEN1
SCHEMBL3811828 0.90 ALDH1A1 (0.39) ALDH1A1GAAMAPTKDM4EMEN1
SCHEMBL3816652 0.89 ALDH1A1 (0.51) ALDH1A1GAAMAPTKDM4EMEN1
SCHEMBL3814878 0.85 GAA (0.36) ALDH1A1GAAMAPTKDM4EMEN1
SCHEMBL3818908 0.84 ALDH1A1 (0.35) ALDH1A1GAAMAPTKDM4EMEN1
SCHEMBL3821033 0.84 MAPT (0.35) ALDH1A1GAAMAPTKDM4EMEN1
SCHEMBL927805 0.84 ALDH1A1 (0.52) ALDH1A1GAAMAPTKDM4EKMT2A
SCHEMBL927804 0.84 ALDH1A1 (0.52) ALDH1A1GAAMAPTKDM4EKMT2A
SCHEMBL3818156 0.84 ALDH1A1 (0.38) ALDH1A1GAAMAPTKDM4EMEN1
SCHEMBL3813952 0.84 GAA (0.35) ALDH1A1GAAMAPTKDM4EMEN1

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