SCHEMBL5199731

SCHEMBL5199731

O=C(O)c1nc(C2CC2)ccc1[AsH2]

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HCAR2 Q8TDS4 3/20 0.34
PDE10A Q9Y233 8/20 0.33
ATR Q13535 1/20 0.33
KMO O15229 1/20 0.33
KDM4E B2RXH2 1/20 0.31
KMT2A Q03164 1/20 0.31
TMIGD3 P0DMS9 1/20 0.31
ADORA1 P30542 1/20 0.31
SYK P43405 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
SCHEMBL15057161 0.80 POLB (0.49) POLBALDH1A1MAPTSMN1; SMN2HCAR2
SCHEMBL24680127 0.79 POLB (0.41) POLBALDH1A1MAPTSMN1; SMN2HCAR2
SCHEMBL4897646 0.79 POLB (0.41) POLBALDH1A1MAPTSMN1; SMN2HCAR2
SCHEMBL20972176 0.79 POLB (0.41) POLBALDH1A1MAPTSMN1; SMN2HCAR2
SCHEMBL17949442 0.79 POLB (0.41) POLBALDH1A1MAPTSMN1; SMN2HCAR2
SCHEMBL24908590 0.76 POLB (0.39) POLBALDH1A1MAPTSMN1; SMN2HCAR2
SCHEMBL27938280 0.75 KDM4E (0.42) POLBALDH1A1MAPTKDM4E
SCHEMBL24679025 0.75 POLB (0.38) POLBALDH1A1MAPTSMN1; SMN2PDE10A
SCHEMBL15057356 0.75 POLB (0.44) POLBALDH1A1MAPTSMN1; SMN2PDE10A
SCHEMBL25331964 0.72 POLB (0.45) POLBALDH1A1MAPTSMN1; SMN2PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1858854-A1 PYRIDINE-2-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2007-11-28 EP disclosed
WO-2006094639-A1 PYRIDINE-2-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-09-14 WO disclosed