SCHEMBL3817567

SCHEMBL3817567

CC1c2cccc([N+](=O)[O-])c2CCN1C(=O)c1cc2ccc(Br)cn2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
CYP2C19 P33261 2/20 0.33
GRM5 P41594 2/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
ALDH1A1 P00352 3/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C1 Q04828 1/20 0.31
ESR1 P03372 1/20 0.31
POLB P06746 1/20 0.31
ESR2 Q92731 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
SCHEMBL3814955 0.89 HTT (0.39) SMN1; SMN2HTTNCOA1NCOA3LMNA
SCHEMBL3819944 0.88 LMNA (0.34) SMN1; SMN2HTTNCOA1NCOA3CYP2C19
SCHEMBL3819045 0.88 GRM5 (0.36) HTTGRM5LMNAMAPK1NPC1
SCHEMBL3817104 0.86 ALDH1A1 (0.36) HTTKMT2AGRM5LMNAMAPK1
SCHEMBL1009233 0.86 GRM5 (0.48) KMT2AGRM5HPGDALDH1A1ESR1
SCHEMBL3820066 0.85 ALDH1A1 (0.36) MEN1KMT2AGRM5LMNAMAPK1
SCHEMBL3815122 0.84 HTT (0.47) SMN1; SMN2HTTNCOA1NCOA3MEN1
SCHEMBL3816389 0.84 NPC1 (0.35) HTTGRM5LMNAMAPK1NPC1
SCHEMBL13719955 0.83 HTT (0.40) SMN1; SMN2HTTNCOA1NCOA3MEN1
SCHEMBL3813185 0.83 F11 (0.35) GRM5NPC1RAB9AALDH1A1ESR1

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