SCHEMBL8024861

SCHEMBL8024861

CC1c2cncc([N+](=O)[O-])c2CCN1C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
MAOA P21397 3/20 0.35
GRIA1 P42261 2/20 0.32
GRIA2 P42262 2/20 0.32
GRIA3 P42263 2/20 0.32
GRIA4 P48058 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SOST Q9BQB4 1/20 0.31
MITF O75030 1/20 0.31
USP7 Q93009 1/20 0.31
USP47 Q96K76 1/20 0.31
SIRT6 Q8N6T7 2/20 0.31
MAPT P10636 2/20 0.31
ALDH1A1 P00352 1/20 0.30
ACHE P22303 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
SCHEMBL1010859 0.72 MAOA (0.33) HTR2AHTR2CHTR2BMAOAMEN1
SCHEMBL25338505 0.66 MAOA (0.66) MAOAMEN1KMT2ASIRT6ALDH1A1
SCHEMBL27156382 0.66 MAOA (0.66) MAOAMEN1KMT2ASIRT6ALDH1A1
SCHEMBL15770536 0.64 MAPT (0.42) MEN1KMT2ASIRT6MAPTALDH1A1
SCHEMBL8015301 0.64 HTR1A (0.52) HTR2AMAOASIRT6
SCHEMBL8031034 0.64 HTR1A (0.55) HTR2AMAOAMEN1KMT2ASIRT6
Hydrochloric Acid SCHEMBL7509854 0.63 HTR1A (0.51) HTR2AMAOASIRT6
SCHEMBL16857343 0.63 TDP1 (0.37) MEN1KMT2AALDH1A1
SCHEMBL1473281 0.60 TDP1 (0.56) MEN1KMT2AALDH1A1
SCHEMBL31319374 0.60 CDK2 (0.40) MEN1KMT2AMAPTALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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